4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C18H21N5O — CID 70728129

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC(C)Cn3cccn3)cc2)n1
InChIInChI=1S/C18H21N5O/c1-13-11-15(3)23(21-13)17-7-5-16(6-8-17)18(24)20-14(2)12-22-10-4-9-19-22/h4-11,14H,12H2,1-3H3,(H,20,24)
InChIKeyDDQBIPNCCREYAV-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.50
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 70728129) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID70728129
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC(C)Cn3cccn3)cc2)n1
InChIInChI=1S/C18H21N5O/c1-13-11-15(3)23(21-13)17-7-5-16(6-8-17)18(24)20-14(2)12-22-10-4-9-19-22/h4-11,14H,12H2,1-3H3,(H,20,24)
InChIKeyDDQBIPNCCREYAV-UHFFFAOYSA-N
XLogP2.50
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 120507810
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 27990683
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607203
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
N-[(1S)-1-cyano-3-methylbutyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 95280174
3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607050
3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459817
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114325720
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 75401880

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 70728129) is 4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NC(C)Cn3cccn3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is DDQBIPNCCREYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-11-15(3)23(21-13)17-7-5-16(6-8-17)18(24)20-14(2)12-22-10-4-9-19-22/h4-11,14H,12H2,1-3H3,(H,20,24).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 70728129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).