1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide

C16H16F2N4O2 — CID 138055821

IUPAC1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide
SMILESO=C1CCC(NC(=O)c2ccn(-c3cc(F)cc(F)c3)n2)CCN1
InChIInChI=1S/C16H16F2N4O2/c17-10-7-11(18)9-13(8-10)22-6-4-14(21-22)16(24)20-12-1-2-15(23)19-5-3-12/h4,6-9,12H,1-3,5H2,(H,19,23)(H,20,24)
InChIKeyXSYMLXNDPUNRLE-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.55
Rot. Bonds3

About 1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide

1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide (PubChem CID 138055821) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide
PubChem CID138055821
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide
SMILESO=C1CCC(NC(=O)c2ccn(-c3cc(F)cc(F)c3)n2)CCN1
InChIInChI=1S/C16H16F2N4O2/c17-10-7-11(18)9-13(8-10)22-6-4-14(21-22)16(24)20-12-1-2-15(23)19-5-3-12/h4,6-9,12H,1-3,5H2,(H,19,23)(H,20,24)
InChIKeyXSYMLXNDPUNRLE-UHFFFAOYSA-N
XLogP1.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide
CID 119390442
1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
CID 95137538
1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
CID 119387434
1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 136578301
6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 138036120
1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 146201949
N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47894388
2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide
CID 167781525
N-piperidin-4-yl-1-(triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 175781469
1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119429116
4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524577

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide (CID 138055821) is 1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide is O=C1CCC(NC(=O)c2ccn(-c3cc(F)cc(F)c3)n2)CCN1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide?
The InChIKey is XSYMLXNDPUNRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-10-7-11(18)9-13(8-10)22-6-4-14(21-22)16(24)20-12-1-2-15(23)19-5-3-12/h4,6-9,12H,1-3,5H2,(H,19,23)(H,20,24).
What are the key properties of 1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide?
1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 138055821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).