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

C14H16F2N4O — CID 63185894

IUPAC3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCCCNc1c(F)cc(C(=O)NCc2cn[nH]c2)cc1F
InChIInChI=1S/C14H16F2N4O/c1-2-3-17-13-11(15)4-10(5-12(13)16)14(21)18-6-9-7-19-20-8-9/h4-5,7-8,17H,2-3,6H2,1H3,(H,18,21)(H,19,20)
InChIKeyFMXNMFDLXOFUJP-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.44
Rot. Bonds6

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

3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 63185894) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID63185894
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCCCNc1c(F)cc(C(=O)NCc2cn[nH]c2)cc1F
InChIInChI=1S/C14H16F2N4O/c1-2-3-17-13-11(15)4-10(5-12(13)16)14(21)18-6-9-7-19-20-8-9/h4-5,7-8,17H,2-3,6H2,1H3,(H,18,21)(H,19,20)
InChIKeyFMXNMFDLXOFUJP-UHFFFAOYSA-N
XLogP2.44
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide
CID 63185488
4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185938
3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61140950
5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 104641010
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
3-fluoro-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105385866
2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 55046147
3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide
CID 106408572
5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 62178513
4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735788
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 63185894) is 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide is CCCNc1c(F)cc(C(=O)NCc2cn[nH]c2)cc1F.
What is the InChIKey of 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is FMXNMFDLXOFUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-2-3-17-13-11(15)4-10(5-12(13)16)14(21)18-6-9-7-19-20-8-9/h4-5,7-8,17H,2-3,6H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide?
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 294.31 g/mol, XLogP of 2.44, 6 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-ylmethyl)benzamide is sourced from PubChem (CID 63185894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).