2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone

C15H19N3O — CID 158870551

IUPAC2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone
SMILESCc1ccc(CC(=O)c2cc(NC(C)C)n[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-10(2)16-15-9-13(17-18-15)14(19)8-12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H2,16,17,18)
InChIKeyJWCWHFWFXGMNCB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone

2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone (PubChem CID 158870551) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone
PubChem CID158870551
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone
SMILESCc1ccc(CC(=O)c2cc(NC(C)C)n[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-10(2)16-15-9-13(17-18-15)14(19)8-12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H2,16,17,18)
InChIKeyJWCWHFWFXGMNCB-UHFFFAOYSA-N
XLogP2.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-hydroxy-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]pentan-1-one
CID 157236859
2-(N-methylanilino)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone
CID 71110359
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine
CID 63047816
N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109423
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
CID 113011746
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
3-(methylamino)-1-(4-methylphenyl)butan-2-one
CID 116565005
2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840220

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone (CID 158870551) is 2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone is Cc1ccc(CC(=O)c2cc(NC(C)C)n[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone?
The InChIKey is JWCWHFWFXGMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)16-15-9-13(17-18-15)14(19)8-12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone?
2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone has a molecular weight of 257.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[3-(propan-2-ylamino)-1H-pyrazol-5-yl]ethanone is sourced from PubChem (CID 158870551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).