1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one

C11H17N3O — CID 116557707

IUPAC1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
SMILESCn1cc(CC(=O)CNCC2CC2)cn1
InChIInChI=1S/C11H17N3O/c1-14-8-10(6-13-14)4-11(15)7-12-5-9-2-3-9/h6,8-9,12H,2-5,7H2,1H3
InChIKeyLNWJISGKVPITMK-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.53
Rot. Bonds6

About 1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one

1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one (PubChem CID 116557707) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
PubChem CID116557707
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
SMILESCn1cc(CC(=O)CNCC2CC2)cn1
InChIInChI=1S/C11H17N3O/c1-14-8-10(6-13-14)4-11(15)7-12-5-9-2-3-9/h6,8-9,12H,2-5,7H2,1H3
InChIKeyLNWJISGKVPITMK-UHFFFAOYSA-N
XLogP0.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-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

2-(cyclopropylmethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 54869359
1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116588939
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106133809
1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 115414583
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 103558759
1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571131
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
1-ethylsulfanyl-3-(1-methylpyrazol-4-yl)propan-2-one
CID 65130546
2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone
CID 65423483
4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116555966
N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 94609346

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one (CID 116557707) is 1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one is Cn1cc(CC(=O)CNCC2CC2)cn1.
What is the InChIKey of 1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one?
The InChIKey is LNWJISGKVPITMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-8-10(6-13-14)4-11(15)7-12-5-9-2-3-9/h6,8-9,12H,2-5,7H2,1H3.
What are the key properties of 1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one?
1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 116557707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).