1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole

C56H62F2N8O6 — CID 164984279

About 1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole

1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole (PubChem CID 164984279) has the molecular formula C56H62F2N8O6 and a molecular weight of 981.16 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole
• PubChem CID: 164984279
• Molecular Formula: C56H62F2N8O6
• Molecular Weight: 981.16 g/mol
• Exact Mass: 980.48
• IUPAC Name: 1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole
• SMILES: COc1cc(C(O)c2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)n1.COc1ccn(-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)n1.Cc1nn(CC2CC2)cc1C=O
• InChI: InChI=1S/C28H31FN4O3.C19H19FN2O2.C9H12N2O/c1-18-24(16-32(30-18)15-20-9-10-20)28(34)26-14-27(35-3)31-33(26)25-12-11-22(29)13-23(25)19(2)36-17-21-7-5-4-6-8-21;1-14(24-13-15-6-4-3-5-7-15)17-12-16(20)8-9-18(17)22-11-10-19(21-22)23-2;1-7-9(6-12)5-11(10-7)4-8-2-3-8/h4-8,11-14,16,19-20,28,34H,9-10,15,17H2,1-3H3;3-12,14H,13H2,1-2H3;5-6,8H,2-4H2,1H3/t19-,28?;14-;/m11./s1
• InChIKey: FXVVIULEAHIAGW-XNRSKFGOSA-N
• XLogP: 11.01
• TPSA: 145.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	981.16
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole?

The IUPAC name of 1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole (CID 164984279) is 1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole.

What is the SMILES notation for 1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole?

The canonical SMILES for 1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole is COc1cc(C(O)c2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)n1.COc1ccn(-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)n1.Cc1nn(CC2CC2)cc1C=O.

What is the InChIKey of 1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole?

The InChIKey is FXVVIULEAHIAGW-XNRSKFGOSA-N. The full InChI is InChI=1S/C28H31FN4O3.C19H19FN2O2.C9H12N2O/c1-18-24(16-32(30-18)15-20-9-10-20)28(34)26-14-27(35-3)31-33(26)25-12-11-22(29)13-23(25)19(2)36-17-21-7-5-4-6-8-21;1-14(24-13-15-6-4-3-5-7-15)17-12-16(20)8-9-18(17)22-11-10-19(21-22)23-2;1-7-9(6-12)5-11(10-7)4-8-2-3-8/h4-8,11-14,16,19-20,28,34H,9-10,15,17H2,1-3H3;3-12,14H,13H2,1-2H3;5-6,8H,2-4H2,1H3/t19-,28?;14-;/m11./s1.

What are the key properties of 1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole?

1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole has a molecular weight of 981.16 g/mol, XLogP of 11.01, 19 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-3-methylpyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazole is sourced from PubChem (CID 164984279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).