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

C16H22N4O — CID 60945282

IUPACN-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide
SMILESCCC(C)NCC(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-3-13(2)17-10-16(21)19-15-9-18-20(12-15)11-14-7-5-4-6-8-14/h4-9,12-13,17H,3,10-11H2,1-2H3,(H,19,21)
InChIKeyYRJMKHDRDYTMPR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds7

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

N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide (PubChem CID 60945282) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide
PubChem CID60945282
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide
SMILESCCC(C)NCC(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-3-13(2)17-10-16(21)19-15-9-18-20(12-15)11-14-7-5-4-6-8-14/h4-9,12-13,17H,3,10-11H2,1-2H3,(H,19,21)
InChIKeyYRJMKHDRDYTMPR-UHFFFAOYSA-N
XLogP2.26
TPSA58.95 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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
4-amino-N-(1-benzylpyrazol-4-yl)-3-methoxybutanamide;hydrochloride
CID 120589702
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
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
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111521189

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide (CID 60945282) is N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide is CCC(C)NCC(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide?
The InChIKey is YRJMKHDRDYTMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-13(2)17-10-16(21)19-15-9-18-20(12-15)11-14-7-5-4-6-8-14/h4-9,12-13,17H,3,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide?
N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.26, 7 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-(butan-2-ylamino)acetamide is sourced from PubChem (CID 60945282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).