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

C13H12Cl2N4O — CID 62075479

IUPAC4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)Nc2cc(Cl)ccc2Cl)n[nH]c1C1CC1
InChIInChI=1S/C13H12Cl2N4O/c14-7-3-4-8(15)9(5-7)17-13(20)12-10(16)11(18-19-12)6-1-2-6/h3-6H,1-2,16H2,(H,17,20)(H,18,19)
InChIKeyRJOONENOALARKP-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.43
Rot. Bonds3

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

4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 62075479) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide
PubChem CID62075479
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC Name4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)Nc2cc(Cl)ccc2Cl)n[nH]c1C1CC1
InChIInChI=1S/C13H12Cl2N4O/c14-7-3-4-8(15)9(5-7)17-13(20)12-10(16)11(18-19-12)6-1-2-6/h3-6H,1-2,16H2,(H,17,20)(H,18,19)
InChIKeyRJOONENOALARKP-UHFFFAOYSA-N
XLogP3.43
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077592
4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077128
4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077618
4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 65467132
4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077620
4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide
CID 62075638
4-amino-5-cyclopropyl-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62077288
4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 82012764
4-amino-5-cyclopropyl-N-[4-(dimethylamino)phenyl]-1H-pyrazole-3-carboxamide
CID 62078614
4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide
CID 62077284
4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 55178983
4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62077622

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide (CID 62075479) is 4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide is Nc1c(C(=O)Nc2cc(Cl)ccc2Cl)n[nH]c1C1CC1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is RJOONENOALARKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O/c14-7-3-4-8(15)9(5-7)17-13(20)12-10(16)11(18-19-12)6-1-2-6/h3-6H,1-2,16H2,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).