1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one

C16H19N3O — CID 103024143

IUPAC1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)C2(c3ccc(N)cc3)CC2)cn1
InChIInChI=1S/C16H19N3O/c1-19-11-12(10-18-19)2-7-15(20)16(8-9-16)13-3-5-14(17)6-4-13/h3-6,10-11H,2,7-9,17H2,1H3
InChIKeyGXZMHMWGUQPQNM-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.24
Rot. Bonds5

About 1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one

1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 103024143) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID103024143
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)C2(c3ccc(N)cc3)CC2)cn1
InChIInChI=1S/C16H19N3O/c1-19-11-12(10-18-19)2-7-15(20)16(8-9-16)13-3-5-14(17)6-4-13/h3-6,10-11H,2,7-9,17H2,1H3
InChIKeyGXZMHMWGUQPQNM-UHFFFAOYSA-N
XLogP2.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 103024001
1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103023798
1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007947
4-[2-(1-methylpyrazol-4-yl)ethylsulfonyl]aniline
CID 103013722
N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120568841
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
CID 119547581
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 119567446
1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 116611651
1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone
CID 116611743
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one (CID 103024143) is 1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(CCC(=O)C2(c3ccc(N)cc3)CC2)cn1.
What is the InChIKey of 1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is GXZMHMWGUQPQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19-11-12(10-18-19)2-7-15(20)16(8-9-16)13-3-5-14(17)6-4-13/h3-6,10-11H,2,7-9,17H2,1H3.
What are the key properties of 1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one?
1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 269.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 103024143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).