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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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).