3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one

C14H16N2O — CID 103124770

IUPAC3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
SMILESCn1nc(C(=O)CCC2CC2)c2ccccc21
InChIInChI=1S/C14H16N2O/c1-16-12-5-3-2-4-11(12)14(15-16)13(17)9-8-10-6-7-10/h2-5,10H,6-9H2,1H3
InChIKeyRHEJBEGGRBHEAP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.95
Rot. Bonds4

About 3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one

3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one (PubChem CID 103124770) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
PubChem CID103124770
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
SMILESCn1nc(C(=O)CCC2CC2)c2ccccc21
InChIInChI=1S/C14H16N2O/c1-16-12-5-3-2-4-11(12)14(15-16)13(17)9-8-10-6-7-10/h2-5,10H,6-9H2,1H3
InChIKeyRHEJBEGGRBHEAP-UHFFFAOYSA-N
XLogP2.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
1-(1-methylindazol-3-yl)hex-4-yn-1-one
CID 103125315
1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone
CID 103124360
4-methyl-1-(1-methylindazol-3-yl)pent-4-en-1-one
CID 103125342
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124705
4-methoxy-1-(1-methylindazol-3-yl)butan-1-one
CID 103125569
5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one
CID 112754729
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
1-(1-methylindazol-3-yl)-3-(oxolan-3-yl)propane-1,3-dione
CID 103119509

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one (CID 103124770) is 3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one is Cn1nc(C(=O)CCC2CC2)c2ccccc21.
What is the InChIKey of 3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one?
The InChIKey is RHEJBEGGRBHEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16-12-5-3-2-4-11(12)14(15-16)13(17)9-8-10-6-7-10/h2-5,10H,6-9H2,1H3.
What are the key properties of 3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one?
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one has a molecular weight of 228.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one is sourced from PubChem (CID 103124770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).