2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide

C15H16FN3O — CID 49491563

IUPAC2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c1-9-11(8-18-19-9)7-17-15(20)14-6-13(14)10-2-4-12(16)5-3-10/h2-5,8,13-14H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyGFMQAOSJAQHQQE-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.28
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide

2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 49491563) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID49491563
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c1-9-11(8-18-19-9)7-17-15(20)14-6-13(14)10-2-4-12(16)5-3-10/h2-5,8,13-14H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyGFMQAOSJAQHQQE-UHFFFAOYSA-N
XLogP2.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 95279473
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739536
N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766749
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 54896470
trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 30254146
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702
3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249836
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095591
methyl 3-[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoate
CID 97010209
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61021789

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 49491563) is 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide is Cc1[nH]ncc1CNC(=O)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is GFMQAOSJAQHQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-9-11(8-18-19-9)7-17-15(20)14-6-13(14)10-2-4-12(16)5-3-10/h2-5,8,13-14H,6-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 49491563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).