4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide

C15H19ClN4O — CID 43780079

IUPAC4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide
SMILESCC(C)c1nn(C)cc1CNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C15H19ClN4O/c1-9(2)14-11(8-20(3)19-14)7-18-13-6-10(15(17)21)4-5-12(13)16/h4-6,8-9,18H,7H2,1-3H3,(H2,17,21)
InChIKeyHYDWNFMQWSYFJW-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.91
Rot. Bonds5

About 4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide

4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide (PubChem CID 43780079) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide
PubChem CID43780079
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide
SMILESCC(C)c1nn(C)cc1CNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C15H19ClN4O/c1-9(2)14-11(8-20(3)19-14)7-18-13-6-10(15(17)21)4-5-12(13)16/h4-6,8-9,18H,7H2,1-3H3,(H2,17,21)
InChIKeyHYDWNFMQWSYFJW-UHFFFAOYSA-N
XLogP2.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide
CID 115989561
4-chloro-3-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 126842201
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399
4-fluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzoic acid
CID 43787612
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66398095
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide
CID 83086550
4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43679573
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
2-chloro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-nitroaniline
CID 43781643
2-bromo-4-chloro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 81262106
3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide
CID 80700592
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide?
The IUPAC name of 4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide (CID 43780079) is 4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for 4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide is CC(C)c1nn(C)cc1CNc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide?
The InChIKey is HYDWNFMQWSYFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-9(2)14-11(8-20(3)19-14)7-18-13-6-10(15(17)21)4-5-12(13)16/h4-6,8-9,18H,7H2,1-3H3,(H2,17,21).
What are the key properties of 4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide?
4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide has a molecular weight of 306.80 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 43780079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).