3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide

C13H14F2N4O — CID 63185488

IUPAC3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide
SMILESCCCNc1c(F)cc(C(=O)Nc2cn[nH]c2)cc1F
InChIInChI=1S/C13H14F2N4O/c1-2-3-16-12-10(14)4-8(5-11(12)15)13(20)19-9-6-17-18-7-9/h4-7,16H,2-3H2,1H3,(H,17,18)(H,19,20)
InChIKeyHKMVKZJCXKPHBG-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.76
Rot. Bonds5

About 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide

3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 63185488) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide
PubChem CID63185488
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide
SMILESCCCNc1c(F)cc(C(=O)Nc2cn[nH]c2)cc1F
InChIInChI=1S/C13H14F2N4O/c1-2-3-16-12-10(14)4-8(5-11(12)15)13(20)19-9-6-17-18-7-9/h4-7,16H,2-3H2,1H3,(H,17,18)(H,19,20)
InChIKeyHKMVKZJCXKPHBG-UHFFFAOYSA-N
XLogP2.76
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185894
5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide
CID 107374526
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide
CID 63185041
3-hydroxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 43540289
2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 82816091
4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide
CID 63187094
3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
CID 83016826
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide
CID 83016710

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide (CID 63185488) is 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide is CCCNc1c(F)cc(C(=O)Nc2cn[nH]c2)cc1F.
What is the InChIKey of 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is HKMVKZJCXKPHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-2-3-16-12-10(14)4-8(5-11(12)15)13(20)19-9-6-17-18-7-9/h4-7,16H,2-3H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide?
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 280.28 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 63185488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).