1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone

C15H17N3O — CID 166058214

IUPAC1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn[nH]c1NCc1ccccc1C1CC1
InChIInChI=1S/C15H17N3O/c1-10(19)14-9-17-18-15(14)16-8-12-4-2-3-5-13(12)11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H2,16,17,18)
InChIKeyAOSBVELHZMIHPZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.10
Rot. Bonds5

About 1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone

1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone (PubChem CID 166058214) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone
PubChem CID166058214
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn[nH]c1NCc1ccccc1C1CC1
InChIInChI=1S/C15H17N3O/c1-10(19)14-9-17-18-15(14)16-8-12-4-2-3-5-13(12)11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H2,16,17,18)
InChIKeyAOSBVELHZMIHPZ-UHFFFAOYSA-N
XLogP3.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone
CID 83872450
N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline
CID 79979547
[2-[(2-cyclopropylphenyl)methylamino]phenyl]methanol
CID 79979361
2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine
CID 113252305
N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine
CID 79889215
2-[(2-cyclopropylphenyl)methylamino]acetic acid
CID 79979274
methyl 2-[(2-cyclopropylphenyl)methylamino]acetate
CID 79978808
1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol
CID 79888885
5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide
CID 79968726
N-[(2-cyclopropylphenyl)methyl]-4-methylsulfonylaniline
CID 79969795
1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 79979585

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone (CID 166058214) is 1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone is CC(=O)c1cn[nH]c1NCc1ccccc1C1CC1.
What is the InChIKey of 1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone?
The InChIKey is AOSBVELHZMIHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(19)14-9-17-18-15(14)16-8-12-4-2-3-5-13(12)11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H2,16,17,18).
What are the key properties of 1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone?
1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone has a molecular weight of 255.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone is sourced from PubChem (CID 166058214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).