N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide

C15H20N4O — CID 60718562

IUPACN-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O/c1-12(2)16-10-15(20)17-8-13-9-18-19(11-13)14-6-4-3-5-7-14/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,17,20)
InChIKeyYSBNCSHQJDIOSZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.49
Rot. Bonds6

About N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide

N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide (PubChem CID 60718562) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
PubChem CID60718562
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O/c1-12(2)16-10-15(20)17-8-13-9-18-19(11-13)14-6-4-3-5-7-14/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,17,20)
InChIKeyYSBNCSHQJDIOSZ-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

3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 62838193
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
2-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylguanidine
CID 111125787
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119699555
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide (CID 60718562) is N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is YSBNCSHQJDIOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(2)16-10-15(20)17-8-13-9-18-19(11-13)14-6-4-3-5-7-14/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,17,20).
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide?
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)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-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60718562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).