5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide

C16H17ClFN3O2 — CID 73212663

IUPAC5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(Cl)[nH]n1)N(Cc1ccc(O)cc1F)CC1CCC1
InChIInChI=1S/C16H17ClFN3O2/c17-15-7-14(19-20-15)16(23)21(8-10-2-1-3-10)9-11-4-5-12(22)6-13(11)18/h4-7,10,22H,1-3,8-9H2,(H,19,20)
InChIKeyVPBPUWJPKOCSNX-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.35
Rot. Bonds5

About 5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide

5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 73212663) has the molecular formula C16H17ClFN3O2 and a molecular weight of 337.78 g/mol. Its IUPAC name is 5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID73212663
Molecular FormulaC16H17ClFN3O2
Molecular Weight337.78 g/mol
Exact Mass337.10
IUPAC Name5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(Cl)[nH]n1)N(Cc1ccc(O)cc1F)CC1CCC1
InChIInChI=1S/C16H17ClFN3O2/c17-15-7-14(19-20-15)16(23)21(8-10-2-1-3-10)9-11-4-5-12(22)6-13(11)18/h4-7,10,22H,1-3,8-9H2,(H,19,20)
InChIKeyVPBPUWJPKOCSNX-UHFFFAOYSA-N
XLogP3.35
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 73212665
[4-[[(5-chloro-1H-pyrazole-3-carbonyl)-(cyclobutylmethyl)amino]methyl]-3-fluorophenoxy]-methylphosphinic acid
CID 118552865
[4-[[(5-chloro-1H-pyrazole-3-carbonyl)-(cyclobutylmethyl)amino]methyl]-3-fluorophenyl] (2R)-2-amino-2-methylbutanoate
CID 161358642
N-(cyclobutylmethyl)-N-[(2-fluoro-4-methylphenyl)methyl]-5-isocyano-1H-pyrazole-3-carboxamide
CID 162101535
N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 155456517
N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
CID 118552832
[4-[[(5-chloro-1H-pyrazole-3-carbonyl)-(cyclobutylmethyl)amino]methyl]-5-fluorocyclohexa-1,5-dien-1-yl] dihydrogen phosphate
CID 130313364
N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 118552874
tert-butyl 4-[[cyclobutylmethyl-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 90102344
tert-butyl 4-[[cyclobutylmethyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 118552863
N-[[6-[3-[[[(3-bromo-1H-pyrazol-5-yl)-hydroxymethyl]-[(2-fluoro-4-hydroxyphenyl)methyl]amino]methyl]azetidin-1-yl]-1H-indol-4-yl]methyl]-N-(oxetan-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 138553052
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 71875848

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 73212663) is 5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide is O=C(c1cc(Cl)[nH]n1)N(Cc1ccc(O)cc1F)CC1CCC1.
What is the InChIKey of 5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VPBPUWJPKOCSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O2/c17-15-7-14(19-20-15)16(23)21(8-10-2-1-3-10)9-11-4-5-12(22)6-13(11)18/h4-7,10,22H,1-3,8-9H2,(H,19,20).
What are the key properties of 5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 337.78 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 73212663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).