4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide

C11H10ClN3O — CID 61394435

IUPAC4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(CCl)cc1
InChIInChI=1S/C11H10ClN3O/c12-7-8-1-3-9(4-2-8)11(16)14-10-5-6-13-15-10/h1-6H,7H2,(H2,13,14,15,16)
InChIKeyNPSSLRRRWXPXEB-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.40
Rot. Bonds3

About 4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide

4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 61394435) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide
PubChem CID61394435
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(CCl)cc1
InChIInChI=1S/C11H10ClN3O/c12-7-8-1-3-9(4-2-8)11(16)14-10-5-6-13-15-10/h1-6H,7H2,(H2,13,14,15,16)
InChIKeyNPSSLRRRWXPXEB-UHFFFAOYSA-N
XLogP2.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide
CID 61393919
4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide
CID 61393914
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103956763
4-butoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393698
3-chloro-N-(1H-pyrazol-5-yl)propanamide
CID 61394394
N-(1H-pyrazol-5-yl)naphthalene-2-carboxamide
CID 61393106
2-N-hydroxy-7-N-(1H-pyrazol-5-yl)naphthalene-2,7-dicarboxamide
CID 25256604
N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide
CID 78980090
N-[[4-(chloromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 107233397
6-(diethylamino)-N-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 71934785
3-(4-hydroxyphenyl)-N-(1H-pyrazol-5-yl)propanamide
CID 110483844

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide (CID 61394435) is 4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide is O=C(Nc1ccn[nH]1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is NPSSLRRRWXPXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-7-8-1-3-9(4-2-8)11(16)14-10-5-6-13-15-10/h1-6H,7H2,(H2,13,14,15,16).
What are the key properties of 4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide?
4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 235.67 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 61394435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).