N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide

C15H20N4O — CID 43232183

IUPACN-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
SMILESCC(C)NC(=O)CNCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H20N4O/c1-12(2)18-15(20)11-16-10-13-4-6-14(7-5-13)19-9-3-8-17-19/h3-9,12,16H,10-11H2,1-2H3,(H,18,20)
InChIKeyCIAUKYUGDZODTM-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.49
Rot. Bonds6

About N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide

N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide (PubChem CID 43232183) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
PubChem CID43232183
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
SMILESCC(C)NC(=O)CNCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H20N4O/c1-12(2)18-15(20)11-16-10-13-4-6-14(7-5-13)19-9-3-8-17-19/h3-9,12,16H,10-11H2,1-2H3,(H,18,20)
InChIKeyCIAUKYUGDZODTM-UHFFFAOYSA-N
XLogP1.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid
CID 122073068
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 9476165
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
CID 110748862
2,2-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylamino]butanoic acid
CID 122126715
2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 119725281
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 81386103
(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675922
N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine
CID 62635762
N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 78978276
(1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675926
3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide?
The IUPAC name of N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide (CID 43232183) is N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide is CC(C)NC(=O)CNCc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide?
The InChIKey is CIAUKYUGDZODTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(2)18-15(20)11-16-10-13-4-6-14(7-5-13)19-9-3-8-17-19/h3-9,12,16H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide?
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide is sourced from PubChem (CID 43232183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).