2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide

C16H22N4O — CID 107875956

IUPAC2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide
SMILESCC(C)C(CNc1cnn(CC(N)=O)c1)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-12(2)15(13-6-4-3-5-7-13)9-18-14-8-19-20(10-14)11-16(17)21/h3-8,10,12,15,18H,9,11H2,1-2H3,(H2,17,21)
InChIKeyKELXBQQTXPNYQE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.22
Rot. Bonds7

About 2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide

2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide (PubChem CID 107875956) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide
PubChem CID107875956
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide
SMILESCC(C)C(CNc1cnn(CC(N)=O)c1)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-12(2)15(13-6-4-3-5-7-13)9-18-14-8-19-20(10-14)11-16(17)21/h3-8,10,12,15,18H,9,11H2,1-2H3,(H2,17,21)
InChIKeyKELXBQQTXPNYQE-UHFFFAOYSA-N
XLogP2.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 43783600
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
N-[(2S)-3-methyl-2-phenylbutyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35015141
2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
CID 43783563
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 60932420
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695086
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 43705851
N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908
2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
CID 119294102

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide (CID 107875956) is 2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide is CC(C)C(CNc1cnn(CC(N)=O)c1)c1ccccc1.
What is the InChIKey of 2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide?
The InChIKey is KELXBQQTXPNYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)15(13-6-4-3-5-7-13)9-18-14-8-19-20(10-14)11-16(17)21/h3-8,10,12,15,18H,9,11H2,1-2H3,(H2,17,21).
What are the key properties of 2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide?
2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 107875956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).