1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea

C17H21FN4O2 — CID 99840336

IUPAC1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea
SMILESCOC[C@H](C)n1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O2/c1-11(10-24-2)22-8-7-16(21-22)20-17(23)19-15-9-14(15)12-3-5-13(18)6-4-12/h3-8,11,14-15H,9-10H2,1-2H3,(H2,19,20,21,23)/t11-,14-,15+/m0/s1
InChIKeyFTPJNHNZQRCAAS-TUKIKUTGSA-N
MW332.38 g/mol
LogP2.91
Rot. Bonds6

About 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea

1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea (PubChem CID 99840336) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea
PubChem CID99840336
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea
SMILESCOC[C@H](C)n1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O2/c1-11(10-24-2)22-8-7-16(21-22)20-17(23)19-15-9-14(15)12-3-5-13(18)6-4-12/h3-8,11,14-15H,9-10H2,1-2H3,(H2,19,20,21,23)/t11-,14-,15+/m0/s1
InChIKeyFTPJNHNZQRCAAS-TUKIKUTGSA-N
XLogP2.91
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea
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CID 154755092
1-[(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(2-hydroxypropoxy)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 118128729
1-[(1R,2S,4S)-2-(4-fluorophenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130355286
1-[4-chloro-3-(2-hydroxypropoxy)-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea (CID 99840336) is 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea is COC[C@H](C)n1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)n1.
What is the InChIKey of 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea?
The InChIKey is FTPJNHNZQRCAAS-TUKIKUTGSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11(10-24-2)22-8-7-16(21-22)20-17(23)19-15-9-14(15)12-3-5-13(18)6-4-12/h3-8,11,14-15H,9-10H2,1-2H3,(H2,19,20,21,23)/t11-,14-,15+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea?
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea has a molecular weight of 332.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 99840336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).