(3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone

C15H22N4O — CID 69385914

IUPAC(3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone
SMILESCCCc1c(CC)nn(C(=O)n2cccn2)c1CCC
InChIInChI=1S/C15H22N4O/c1-4-8-12-13(6-3)17-19(14(12)9-5-2)15(20)18-11-7-10-16-18/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyODSIZRRDDXOUTA-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.06
Rot. Bonds5

About (3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone

(3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone (PubChem CID 69385914) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone
PubChem CID69385914
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone
SMILESCCCc1c(CC)nn(C(=O)n2cccn2)c1CCC
InChIInChI=1S/C15H22N4O/c1-4-8-12-13(6-3)17-19(14(12)9-5-2)15(20)18-11-7-10-16-18/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyODSIZRRDDXOUTA-UHFFFAOYSA-N
XLogP3.06
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone
CID 69382435
(3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone
CID 69384966
(3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone
CID 69383046
[4-(1,1,2,2,2-pentachloroethyl)-5-propyltriazol-1-yl]-(triazol-1-yl)methanone
CID 91289427
N-methylpyrazole-1-carboxamide;propane
CID 90891150
(5-bromo-4-ethyltriazol-1-yl)-(triazol-1-yl)methanone
CID 91424998
1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one
CID 110468375
N-pentylpyrazole-1-carboxamide
CID 134846837
6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809334
2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid
CID 84654305
3-[4-(dimethylamino)phenyl]-1-pyrazol-1-ylpropan-1-one
CID 110464568
(5-methyl-3-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69381587

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone (CID 69385914) is (3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone is CCCc1c(CC)nn(C(=O)n2cccn2)c1CCC.
What is the InChIKey of (3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone?
The InChIKey is ODSIZRRDDXOUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-8-12-13(6-3)17-19(14(12)9-5-2)15(20)18-11-7-10-16-18/h7,10-11H,4-6,8-9H2,1-3H3.
What are the key properties of (3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone?
(3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone has a molecular weight of 274.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 69385914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).