4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

C14H16F2N4O — CID 62076796

IUPAC4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2ccc(F)c(F)c2)c1N
InChIInChI=1S/C14H16F2N4O/c1-2-3-11-12(17)13(20-19-11)14(21)18-7-8-4-5-9(15)10(16)6-8/h4-6H,2-3,7,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyFZHMKDWELUODLJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.15
Rot. Bonds5

About 4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62076796) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62076796
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2ccc(F)c(F)c2)c1N
InChIInChI=1S/C14H16F2N4O/c1-2-3-11-12(17)13(20-19-11)14(21)18-7-8-4-5-9(15)10(16)6-8/h4-6H,2-3,7,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyFZHMKDWELUODLJ-UHFFFAOYSA-N
XLogP2.15
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103
4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082153
4-amino-N-(2-fluoro-5-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076748
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 65241562
4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 107210252
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075125
4-amino-N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 114698169
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273
4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 63981757
4-amino-N-(3,3-difluoro-2-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 114092837

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 62076796) is 4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCc2ccc(F)c(F)c2)c1N.
What is the InChIKey of 4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is FZHMKDWELUODLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-2-3-11-12(17)13(20-19-11)14(21)18-7-8-4-5-9(15)10(16)6-8/h4-6H,2-3,7,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).