3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide

C12H12Cl2N4O — CID 64525006

IUPAC3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)[nH]n1
InChIInChI=1S/C12H12Cl2N4O/c13-8-2-1-7(9(14)5-8)3-4-16-12(19)10-6-11(15)18-17-10/h1-2,5-6H,3-4H2,(H,16,19)(H3,15,17,18)
InChIKeyILHYYMCYGHPGIV-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.27
Rot. Bonds4

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

3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 64525006) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID64525006
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)[nH]n1
InChIInChI=1S/C12H12Cl2N4O/c13-8-2-1-7(9(14)5-8)3-4-16-12(19)10-6-11(15)18-17-10/h1-2,5-6H,3-4H2,(H,16,19)(H3,15,17,18)
InChIKeyILHYYMCYGHPGIV-UHFFFAOYSA-N
XLogP2.27
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110300163
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 29286863
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
N-[2-(2,4-dichlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46651015
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61038721
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
CID 62233257
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide
CID 73388057
3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524798

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 64525006) is 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)[nH]n1.
What is the InChIKey of 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ILHYYMCYGHPGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c13-8-2-1-7(9(14)5-8)3-4-16-12(19)10-6-11(15)18-17-10/h1-2,5-6H,3-4H2,(H,16,19)(H3,15,17,18).
What are the key properties of 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).