1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one

C12H18N2O — CID 105104099

IUPAC1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one
SMILESCc1nn(C)c(C)c1CC(=O)CC1CC1
InChIInChI=1S/C12H18N2O/c1-8-12(9(2)14(3)13-8)7-11(15)6-10-4-5-10/h10H,4-7H2,1-3H3
InChIKeyQYXAGJYCSCPHSY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.95
Rot. Bonds4

About 1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one

1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one (PubChem CID 105104099) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one
PubChem CID105104099
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one
SMILESCc1nn(C)c(C)c1CC(=O)CC1CC1
InChIInChI=1S/C12H18N2O/c1-8-12(9(2)14(3)13-8)7-11(15)6-10-4-5-10/h10H,4-7H2,1-3H3
InChIKeyQYXAGJYCSCPHSY-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(trimethyl-1H-pyrazol-4-yl)propan-1-one
CID 793095
4,5,6,7-Tetrahydro-5-oxo-1-methyl-3-trifluoromethyl-1H-indazole
CID 57367073
1-[4-(2,2-Difluorocyclopropyl)-3,5-dimethylpyrazol-1-yl]propan-2-one;ethane
CID 177986413
1-(1,5-Dimethyl-3-propan-2-ylpyrazol-4-yl)ethanone
CID 10511592
2-Methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 10583531
2,3-Bis(1,3,5-trimethylpyrazol-4-yl)cycloprop-2-en-1-one
CID 12171141
1-[1-(2-Cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone
CID 82696898
1-[1-(Cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone
CID 82697599
5-[1-Methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]pentan-2-one
CID 83930172
5-[1-Methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]hexan-2-one
CID 83930173
4-Methyl-5-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]pentan-2-one
CID 83930193
1-(5-Chloro-1,3-dimethylpyrazol-4-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-one
CID 103311570

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one (CID 105104099) is 1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one is Cc1nn(C)c(C)c1CC(=O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one?
The InChIKey is QYXAGJYCSCPHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-12(9(2)14(3)13-8)7-11(15)6-10-4-5-10/h10H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one?
1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 105104099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).