4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide

C12H13ClN4O — CID 43679573

IUPAC4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
SMILESCc1[nH]ncc1CNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C12H13ClN4O/c1-7-9(6-16-17-7)5-15-11-4-8(12(14)18)2-3-10(11)13/h2-4,6,15H,5H2,1H3,(H2,14,18)(H,16,17)
InChIKeyHUOZAVSZUYHXSR-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.08
Rot. Bonds4

About 4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide

4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide (PubChem CID 43679573) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
PubChem CID43679573
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
SMILESCc1[nH]ncc1CNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C12H13ClN4O/c1-7-9(6-16-17-7)5-15-11-4-8(12(14)18)2-3-10(11)13/h2-4,6,15H,5H2,1H3,(H2,14,18)(H,16,17)
InChIKeyHUOZAVSZUYHXSR-UHFFFAOYSA-N
XLogP2.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43663501
N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63939091
4-chloro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzamide
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4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821854
4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 63360539
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
4-chloro-3-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 126842201
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 43780079
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399
4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide
CID 115989561
3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide
CID 80700592

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide?
The IUPAC name of 4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide (CID 43679573) is 4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for 4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide is Cc1[nH]ncc1CNc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide?
The InChIKey is HUOZAVSZUYHXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-9(6-16-17-7)5-15-11-4-8(12(14)18)2-3-10(11)13/h2-4,6,15H,5H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide?
4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide has a molecular weight of 264.72 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 43679573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).