3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide

C11H11ClN4O — CID 64523629

IUPAC3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCc2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C11H11ClN4O/c12-8-3-1-7(2-4-8)6-14-11(17)9-5-10(13)16-15-9/h1-5H,6H2,(H,14,17)(H3,13,15,16)
InChIKeyPZURERKHBYPQBZ-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.58
Rot. Bonds3

About 3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide

3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 64523629) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID64523629
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCc2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C11H11ClN4O/c12-8-3-1-7(2-4-8)6-14-11(17)9-5-10(13)16-15-9/h1-5H,6H2,(H,14,17)(H3,13,15,16)
InChIKeyPZURERKHBYPQBZ-UHFFFAOYSA-N
XLogP1.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524798
4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082153
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 69217820
3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920460
3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525878
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64523664
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide (CID 64523629) is 3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCc2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of 3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is PZURERKHBYPQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-8-3-1-7(2-4-8)6-14-11(17)9-5-10(13)16-15-9/h1-5H,6H2,(H,14,17)(H3,13,15,16).
What are the key properties of 3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).