N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide

C21H25FN4O2 — CID 95721732

IUPACN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C21H25FN4O2/c22-15-7-5-6-14(10-15)20-18(12-23-25-20)21(28)24-16-11-19(27)26(13-16)17-8-3-1-2-4-9-17/h5-7,10,12,16-17H,1-4,8-9,11,13H2,(H,23,25)(H,24,28)/t16-/m1/s1
InChIKeyRQZUNAJFABLFQT-MRXNPFEDSA-N
MW384.46 g/mol
LogP3.27
Rot. Bonds4

About N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide

N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 95721732) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID95721732
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C21H25FN4O2/c22-15-7-5-6-14(10-15)20-18(12-23-25-20)21(28)24-16-11-19(27)26(13-16)17-8-3-1-2-4-9-17/h5-7,10,12,16-17H,1-4,8-9,11,13H2,(H,23,25)(H,24,28)/t16-/m1/s1
InChIKeyRQZUNAJFABLFQT-MRXNPFEDSA-N
XLogP3.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 95721732) is N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide is O=C(N[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is RQZUNAJFABLFQT-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-15-7-5-6-14(10-15)20-18(12-23-25-20)21(28)24-16-11-19(27)26(13-16)17-8-3-1-2-4-9-17/h5-7,10,12,16-17H,1-4,8-9,11,13H2,(H,23,25)(H,24,28)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95721732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).