N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide

C11H11ClN4O2 — CID 79531317

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide
SMILESNc1[nH]ncc1CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C11H11ClN4O2/c12-7-1-2-8(9(17)3-7)11(18)14-4-6-5-15-16-10(6)13/h1-3,5,17H,4H2,(H,14,18)(H3,13,15,16)
InChIKeyWRHIRKNDXAKANK-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.28
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide (PubChem CID 79531317) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide
PubChem CID79531317
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide
SMILESNc1[nH]ncc1CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C11H11ClN4O2/c12-7-1-2-8(9(17)3-7)11(18)14-4-6-5-15-16-10(6)13/h1-3,5,17H,4H2,(H,14,18)(H3,13,15,16)
InChIKeyWRHIRKNDXAKANK-UHFFFAOYSA-N
XLogP1.28
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide
CID 106688560
4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598912
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-hydroxynaphthalene-2-carboxamide
CID 79530279
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 102884080
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide
CID 103110241
4-chloro-2-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 54941047
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-methyl-4-nitrobenzamide
CID 79530745
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
CID 114022797
N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120944

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide (CID 79531317) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide is Nc1[nH]ncc1CNC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide?
The InChIKey is WRHIRKNDXAKANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c12-7-1-2-8(9(17)3-7)11(18)14-4-6-5-15-16-10(6)13/h1-3,5,17H,4H2,(H,14,18)(H3,13,15,16).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide has a molecular weight of 266.69 g/mol, XLogP of 1.28, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide is sourced from PubChem (CID 79531317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).