1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one

C15H22N4O — CID 103024140

IUPAC1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one
SMILESCc1nn(C)c(C)c1CCC(=O)CCc1cnn(C)c1
InChIInChI=1S/C15H22N4O/c1-11-15(12(2)19(4)17-11)8-7-14(20)6-5-13-9-16-18(3)10-13/h9-10H,5-8H2,1-4H3
InChIKeyKSWRLYPVNHYRJU-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.90
Rot. Bonds6

About 1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one

1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one (PubChem CID 103024140) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one
PubChem CID103024140
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one
SMILESCc1nn(C)c(C)c1CCC(=O)CCc1cnn(C)c1
InChIInChI=1S/C15H22N4O/c1-11-15(12(2)19(4)17-11)8-7-14(20)6-5-13-9-16-18(3)10-13/h9-10H,5-8H2,1-4H3
InChIKeyKSWRLYPVNHYRJU-UHFFFAOYSA-N
XLogP1.90
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103023672
1-(1-methylimidazol-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one
CID 105133788
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
8-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103023487
1,1,1-trifluoro-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103007322
1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-one
CID 103024051
1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105114109
1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one
CID 103023561
7-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103024124
4-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 103023542
1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one
CID 103023920
N-methyl-1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105113719

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one (CID 103024140) is 1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one is Cc1nn(C)c(C)c1CCC(=O)CCc1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one?
The InChIKey is KSWRLYPVNHYRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-15(12(2)19(4)17-11)8-7-14(20)6-5-13-9-16-18(3)10-13/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one?
1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one has a molecular weight of 274.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one is sourced from PubChem (CID 103024140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).