4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C14H18N4O — CID 43695373

IUPAC4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H18N4O/c1-11(10-18-8-2-7-16-18)17-14(19)13-5-3-12(9-15)4-6-13/h2-8,11H,9-10,15H2,1H3,(H,17,19)
InChIKeyWXNWLBGRMNIYLT-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.16
Rot. Bonds5

About 4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 43695373) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID43695373
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC Name4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H18N4O/c1-11(10-18-8-2-7-16-18)17-14(19)13-5-3-12(9-15)4-6-13/h2-8,11H,9-10,15H2,1H3,(H,17,19)
InChIKeyWXNWLBGRMNIYLT-UHFFFAOYSA-N
XLogP1.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607203
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114325720
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459817
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38608481
4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 70728129
3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607050
4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43791881

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 43695373) is 4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is CC(Cn1cccn1)NC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is WXNWLBGRMNIYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(10-18-8-2-7-16-18)17-14(19)13-5-3-12(9-15)4-6-13/h2-8,11H,9-10,15H2,1H3,(H,17,19).
What are the key properties of 4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide has a molecular weight of 258.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 43695373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).