N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide

C27H43N5O — CID 135296518

About N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide

N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide (PubChem CID 135296518) has the molecular formula C27H43N5O and a molecular weight of 453.68 g/mol. Its IUPAC name is N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 135296518
• Molecular Formula: C27H43N5O
• Molecular Weight: 453.68 g/mol
• Exact Mass: 453.35
• IUPAC Name: N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide
• SMILES: C[C@H]1CCCCC(c2cc(C(=O)N[C@H](C)Cn3ccc(C4CCCCCC4)n3)n[nH]2)CCC1
• InChI: InChI=1S/C27H43N5O/c1-20-10-7-8-14-23(15-9-11-20)25-18-26(30-29-25)27(33)28-21(2)19-32-17-16-24(31-32)22-12-5-3-4-6-13-22/h16-18,20-23H,3-15,19H2,1-2H3,(H,28,33)(H,29,30)/t20-,21+,23?/m0/s1
• InChIKey: IMVFRAHODBKOED-ZOAFEQKISA-N
• XLogP: 6.33
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.68
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide?

The IUPAC name of N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide (CID 135296518) is N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide is C[C@H]1CCCCC(c2cc(C(=O)N[C@H](C)Cn3ccc(C4CCCCCC4)n3)n[nH]2)CCC1.

What is the InChIKey of N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide?

The InChIKey is IMVFRAHODBKOED-ZOAFEQKISA-N. The full InChI is InChI=1S/C27H43N5O/c1-20-10-7-8-14-23(15-9-11-20)25-18-26(30-29-25)27(33)28-21(2)19-32-17-16-24(31-32)22-12-5-3-4-6-13-22/h16-18,20-23H,3-15,19H2,1-2H3,(H,28,33)(H,29,30)/t20-,21+,23?/m0/s1.

What are the key properties of N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide?

N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide has a molecular weight of 453.68 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135296518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).