N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide

C16H17F2N3O2 — CID 8819893

IUPACN-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccnn1C1CCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H17F2N3O2/c17-16(18)23-13-7-5-11(6-8-13)15(22)20-14-9-10-19-21(14)12-3-1-2-4-12/h5-10,12,16H,1-4H2,(H,20,22)
InChIKeyHXBUKGFJWWUTFV-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.85
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide

N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide (PubChem CID 8819893) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide
PubChem CID8819893
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccnn1C1CCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H17F2N3O2/c17-16(18)23-13-7-5-11(6-8-13)15(22)20-14-9-10-19-21(14)12-3-1-2-4-12/h5-10,12,16H,1-4H2,(H,20,22)
InChIKeyHXBUKGFJWWUTFV-UHFFFAOYSA-N
XLogP3.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
5-Amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile
CID 2405928
(E)-5-amino-1-(1-(cyclopentylimino)-2-(2-fluoro-4-methoxyphenyl)-2-oxo ethyl)-1H-pyrazole-4-carbonitrile
CID 73336082
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560394
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(oxetan-3-yloxy)phenyl]acetamide
CID 118560543
2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560613
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]acetamide
CID 126740697
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
4-methoxy-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]benzamide
CID 156010447
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide (CID 8819893) is N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide is O=C(Nc1ccnn1C1CCCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide?
The InChIKey is HXBUKGFJWWUTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c17-16(18)23-13-7-5-11(6-8-13)15(22)20-14-9-10-19-21(14)12-3-1-2-4-12/h5-10,12,16H,1-4H2,(H,20,22).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide?
N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide has a molecular weight of 321.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 8819893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).