5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide

C16H19F2N3O3 — CID 109479137

IUPAC5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCCC(CCO)NC(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1
InChIInChI=1S/C16H19F2N3O3/c1-2-11(6-7-22)20-15(23)13-9-19-21-14(13)10-4-3-5-12(8-10)24-16(17)18/h3-5,8-9,11,16,22H,2,6-7H2,1H3,(H,19,21)(H,20,23)
InChIKeyKGSRHTJVPFBNNT-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.57
Rot. Bonds8

About 5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide

5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 109479137) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID109479137
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCCC(CCO)NC(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1
InChIInChI=1S/C16H19F2N3O3/c1-2-11(6-7-22)20-15(23)13-9-19-21-14(13)10-4-3-5-12(8-10)24-16(17)18/h3-5,8-9,11,16,22H,2,6-7H2,1H3,(H,19,21)(H,20,23)
InChIKeyKGSRHTJVPFBNNT-UHFFFAOYSA-N
XLogP2.57
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 119630747
N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 119605326
N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119657135
[3-(aminomethyl)pyrrolidin-1-yl]-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methanone
CID 119487330
1,4-diazepan-1-yl-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methanone
CID 119418809
5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 97150973
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one
CID 126766706
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24638552
(2S)-2-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid
CID 120615270
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 70723908

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide (CID 109479137) is 5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide is CCC(CCO)NC(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is KGSRHTJVPFBNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-2-11(6-7-22)20-15(23)13-9-19-21-14(13)10-4-3-5-12(8-10)24-16(17)18/h3-5,8-9,11,16,22H,2,6-7H2,1H3,(H,19,21)(H,20,23).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide?
5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 339.34 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 109479137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).