4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide

C16H21ClN4O — CID 154781979

IUPAC4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide
SMILESCc1cnn(C)c1CNc1cc(C(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C16H21ClN4O/c1-10(2)20-16(22)12-5-6-13(17)14(7-12)18-9-15-11(3)8-19-21(15)4/h5-8,10,18H,9H2,1-4H3,(H,20,22)
InChIKeyOWQKWPCJGDAIHT-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.13
Rot. Bonds5

About 4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide

4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide (PubChem CID 154781979) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide
PubChem CID154781979
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide
SMILESCc1cnn(C)c1CNc1cc(C(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C16H21ClN4O/c1-10(2)20-16(22)12-5-6-13(17)14(7-12)18-9-15-11(3)8-19-21(15)4/h5-8,10,18H,9H2,1-4H3,(H,20,22)
InChIKeyOWQKWPCJGDAIHT-UHFFFAOYSA-N
XLogP3.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 47049795
4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide
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4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide
CID 167805072
4-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-N-phenylbenzamide
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4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 87026803
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
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1-benzyl-5-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55817240
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55895692
4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide
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4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide (CID 154781979) is 4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide is Cc1cnn(C)c1CNc1cc(C(=O)NC(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide?
The InChIKey is OWQKWPCJGDAIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-10(2)20-16(22)12-5-6-13(17)14(7-12)18-9-15-11(3)8-19-21(15)4/h5-8,10,18H,9H2,1-4H3,(H,20,22).
What are the key properties of 4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide?
4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide has a molecular weight of 320.82 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 154781979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).