1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one

C12H19N3O — CID 103024109

IUPAC1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one
SMILESCn1cc(CCC(=O)CC(N)C2CC2)cn1
InChIInChI=1S/C12H19N3O/c1-15-8-9(7-14-15)2-5-11(16)6-12(13)10-3-4-10/h7-8,10,12H,2-6,13H2,1H3
InChIKeyYCHUBRQMASHHPR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.05
Rot. Bonds6

About 1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one

1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one (PubChem CID 103024109) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one.

Molecular Properties

Compound Name1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one
PubChem CID103024109
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one
SMILESCn1cc(CCC(=O)CC(N)C2CC2)cn1
InChIInChI=1S/C12H19N3O/c1-15-8-9(7-14-15)2-5-11(16)6-12(13)10-3-4-10/h7-8,10,12H,2-6,13H2,1H3
InChIKeyYCHUBRQMASHHPR-UHFFFAOYSA-N
XLogP1.05
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-6,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-one
CID 103024107
1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103455845
7-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103024124
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
4-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 103023542
8-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103023487
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
1,1,1-trifluoro-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103007322
1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one
CID 103023561
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007553
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 124590081

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one?
The IUPAC name of 1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one (CID 103024109) is 1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one.
What is the SMILES notation for 1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one?
The canonical SMILES for 1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one is Cn1cc(CCC(=O)CC(N)C2CC2)cn1.
What is the InChIKey of 1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one?
The InChIKey is YCHUBRQMASHHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-8-9(7-14-15)2-5-11(16)6-12(13)10-3-4-10/h7-8,10,12H,2-6,13H2,1H3.
What are the key properties of 1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one?
1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-cyclopropyl-5-(1-methylpyrazol-4-yl)pentan-3-one is sourced from PubChem (CID 103024109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).