1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone

C16H19N3O2 — CID 58202141

IUPAC1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone
SMILESCOc1cccc(CN(c2cc(C(C)=O)[nH]n2)C2CC2)c1
InChIInChI=1S/C16H19N3O2/c1-11(20)15-9-16(18-17-15)19(13-6-7-13)10-12-4-3-5-14(8-12)21-2/h3-5,8-9,13H,6-7,10H2,1-2H3,(H,17,18)
InChIKeyRMPJAOLGAYQOCT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.79
Rot. Bonds6

About 1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone

1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone (PubChem CID 58202141) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone
PubChem CID58202141
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone
SMILESCOc1cccc(CN(c2cc(C(C)=O)[nH]n2)C2CC2)c1
InChIInChI=1S/C16H19N3O2/c1-11(20)15-9-16(18-17-15)19(13-6-7-13)10-12-4-3-5-14(8-12)21-2/h3-5,8-9,13H,6-7,10H2,1-2H3,(H,17,18)
InChIKeyRMPJAOLGAYQOCT-UHFFFAOYSA-N
XLogP2.79
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126448627
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 62339975
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 95553911
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol
CID 110929706
(1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 155496623
2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158342
N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine
CID 107069067

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone?
The IUPAC name of 1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone (CID 58202141) is 1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone?
The canonical SMILES for 1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone is COc1cccc(CN(c2cc(C(C)=O)[nH]n2)C2CC2)c1.
What is the InChIKey of 1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone?
The InChIKey is RMPJAOLGAYQOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(20)15-9-16(18-17-15)19(13-6-7-13)10-12-4-3-5-14(8-12)21-2/h3-5,8-9,13H,6-7,10H2,1-2H3,(H,17,18).
What are the key properties of 1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone?
1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-1H-pyrazol-5-yl]ethanone is sourced from PubChem (CID 58202141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).