N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide

C11H11ClN4O — CID 79530127

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
SMILESNc1[nH]ncc1CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN4O/c12-9-3-1-7(2-4-9)11(17)14-5-8-6-15-16-10(8)13/h1-4,6H,5H2,(H,14,17)(H3,13,15,16)
InChIKeyOKKWKNFPQXNMPA-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.58
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide (PubChem CID 79530127) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
PubChem CID79530127
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
SMILESNc1[nH]ncc1CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN4O/c12-9-3-1-7(2-4-9)11(17)14-5-8-6-15-16-10(8)13/h1-4,6H,5H2,(H,14,17)(H3,13,15,16)
InChIKeyOKKWKNFPQXNMPA-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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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide (CID 79530127) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide is Nc1[nH]ncc1CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide?
The InChIKey is OKKWKNFPQXNMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-9-3-1-7(2-4-9)11(17)14-5-8-6-15-16-10(8)13/h1-4,6H,5H2,(H,14,17)(H3,13,15,16).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide 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 N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide is sourced from PubChem (CID 79530127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).