2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide

C16H22N4O — CID 60852301

IUPAC2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C16H22N4O/c1-3-13(2)17-11-16(21)19-15-8-5-4-7-14(15)12-20-10-6-9-18-20/h4-10,13,17H,3,11-12H2,1-2H3,(H,19,21)
InChIKeyYSAFTFUJSSELRY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds7

About 2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide

2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 60852301) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID60852301
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C16H22N4O/c1-3-13(2)17-11-16(21)19-15-8-5-4-7-14(15)12-20-10-6-9-18-20/h4-10,13,17H,3,11-12H2,1-2H3,(H,19,21)
InChIKeyYSAFTFUJSSELRY-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

(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 43705539
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55934058
2-(butan-2-ylamino)-N-pyridin-2-ylacetamide
CID 60852283
methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate
CID 66173912
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55932406
2-(2,4-dimethylquinolin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55643238
2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79843343
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
2-(butan-2-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43179381
(E)-4-oxo-4-[2-(pyrazol-1-ylmethyl)anilino]but-2-enoic acid
CID 60941126
3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46427586

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 60852301) is 2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide is CCC(C)NCC(=O)Nc1ccccc1Cn1cccn1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is YSAFTFUJSSELRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-13(2)17-11-16(21)19-15-8-5-4-7-14(15)12-20-10-6-9-18-20/h4-10,13,17H,3,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]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 2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 60852301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).