4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide

C13H12Cl2N4O — CID 65467132

IUPAC4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)Nc2c(Cl)cccc2Cl)n[nH]c1C1CC1
InChIInChI=1S/C13H12Cl2N4O/c14-7-2-1-3-8(15)11(7)17-13(20)12-9(16)10(18-19-12)6-4-5-6/h1-3,6H,4-5,16H2,(H,17,20)(H,18,19)
InChIKeyJWNWEHGFWJCBHE-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.43
Rot. Bonds3

About 4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 65467132) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide
PubChem CID65467132
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC Name4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)Nc2c(Cl)cccc2Cl)n[nH]c1C1CC1
InChIInChI=1S/C13H12Cl2N4O/c14-7-2-1-3-8(15)11(7)17-13(20)12-9(16)10(18-19-12)6-4-5-6/h1-3,6H,4-5,16H2,(H,17,20)(H,18,19)
InChIKeyJWNWEHGFWJCBHE-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide (CID 65467132) is 4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide is Nc1c(C(=O)Nc2c(Cl)cccc2Cl)n[nH]c1C1CC1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is JWNWEHGFWJCBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O/c14-7-2-1-3-8(15)11(7)17-13(20)12-9(16)10(18-19-12)6-4-5-6/h1-3,6H,4-5,16H2,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(2,6-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-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65467132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).