N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide

C15H20N4O — CID 60945148

IUPACN-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H20N4O/c1-12(2)16-9-15(20)18-14-8-17-19(11-14)10-13-6-4-3-5-7-13/h3-8,11-12,16H,9-10H2,1-2H3,(H,18,20)
InChIKeyOBFOGGIDPUCHLN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.87
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide

N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide (PubChem CID 60945148) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
PubChem CID60945148
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H20N4O/c1-12(2)16-9-15(20)18-14-8-17-19(11-14)10-13-6-4-3-5-7-13/h3-8,11-12,16H,9-10H2,1-2H3,(H,18,20)
InChIKeyOBFOGGIDPUCHLN-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide
CID 60945282
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
4-amino-N-(1-benzylpyrazol-4-yl)-3-methoxybutanamide;hydrochloride
CID 120589702
N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 60552750
2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
CID 120704186
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111521189
N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide
CID 138048170
3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
CID 65337518

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide (CID 60945148) is N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide?
The InChIKey is OBFOGGIDPUCHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(2)16-9-15(20)18-14-8-17-19(11-14)10-13-6-4-3-5-7-13/h3-8,11-12,16H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide?
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60945148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).