4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide

C14H17FN4O — CID 62077102

IUPAC4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2cccc(F)c2C)c1N
InChIInChI=1S/C14H17FN4O/c1-3-5-11-12(16)13(19-18-11)14(20)17-10-7-4-6-9(15)8(10)2/h4,6-7H,3,5,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHUJXRTOQGXEWKK-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.64
Rot. Bonds4

About 4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62077102) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62077102
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2cccc(F)c2C)c1N
InChIInChI=1S/C14H17FN4O/c1-3-5-11-12(16)13(19-18-11)14(20)17-10-7-4-6-9(15)8(10)2/h4,6-7H,3,5,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHUJXRTOQGXEWKK-UHFFFAOYSA-N
XLogP2.64
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-fluoro-5-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076748
4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075125
4-amino-N-(4-fluoro-2-methoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62077093
4-amino-N-(1,3-dimethylpyrazol-4-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 102803199
4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075447
4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076796
methyl 3-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]thiophene-2-carboxylate
CID 62075771
4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075916
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-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 62077102) is 4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)Nc2cccc(F)c2C)c1N.
What is the InChIKey of 4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is HUJXRTOQGXEWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-5-11-12(16)13(19-18-11)14(20)17-10-7-4-6-9(15)8(10)2/h4,6-7H,3,5,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).