4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide

C13H14Cl2N4O — CID 62075125

IUPAC4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C13H14Cl2N4O/c1-2-3-10-11(16)12(19-18-10)13(20)17-9-5-4-7(14)6-8(9)15/h4-6H,2-3,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyHLOOLGFTBYYLHG-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.50
Rot. Bonds4

About 4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62075125) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62075125
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C13H14Cl2N4O/c1-2-3-10-11(16)12(19-18-10)13(20)17-9-5-4-7(14)6-8(9)15/h4-6H,2-3,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyHLOOLGFTBYYLHG-UHFFFAOYSA-N
XLogP3.50
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.50
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-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62077102
4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076796
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-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081674
4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103
4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077618
4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62075479
N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide
CID 64572432
4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 62075125) is 4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)Nc2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of 4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is HLOOLGFTBYYLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-2-3-10-11(16)12(19-18-10)13(20)17-9-5-4-7(14)6-8(9)15/h4-6H,2-3,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).