2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

C15H20N4O — CID 106215424

IUPAC2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCCCNc1ccccc1C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C15H20N4O/c1-3-8-16-14-7-5-4-6-13(14)15(20)19-11(2)12-9-17-18-10-12/h4-7,9-11,16H,3,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGKFDAGAVOWGEMU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.72
Rot. Bonds6

About 2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 106215424) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID106215424
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCCCNc1ccccc1C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C15H20N4O/c1-3-8-16-14-7-5-4-6-13(14)15(20)19-11(2)12-9-17-18-10-12/h4-7,9-11,16H,3,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGKFDAGAVOWGEMU-UHFFFAOYSA-N
XLogP2.72
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106218117
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
methyl 2-[[2-(propylamino)benzoyl]amino]propanoate
CID 63108414
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
3-(methylamino)-2-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218033
3-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 114158286
N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide
CID 62176701
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
CID 81356651
3,6-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]benzoic acid
CID 106208660
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide
CID 103856743
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 63107753

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 106215424) is 2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is CCCNc1ccccc1C(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is GKFDAGAVOWGEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-8-16-14-7-5-4-6-13(14)15(20)19-11(2)12-9-17-18-10-12/h4-7,9-11,16H,3,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 106215424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).