3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide

C14H22N6O — CID 30865123

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C14H22N6O/c1-9(2)7-20-11(4)12(10(3)19-20)5-6-13(21)17-14-15-8-16-18-14/h8-9H,5-7H2,1-4H3,(H2,15,16,17,18,21)
InChIKeyFXYIFCUAOJMCEK-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.85
Rot. Bonds6

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 30865123) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID30865123
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C14H22N6O/c1-9(2)7-20-11(4)12(10(3)19-20)5-6-13(21)17-14-15-8-16-18-14/h8-9H,5-7H2,1-4H3,(H2,15,16,17,18,21)
InChIKeyFXYIFCUAOJMCEK-UHFFFAOYSA-N
XLogP1.85
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 30865123) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is FXYIFCUAOJMCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-9(2)7-20-11(4)12(10(3)19-20)5-6-13(21)17-14-15-8-16-18-14/h8-9H,5-7H2,1-4H3,(H2,15,16,17,18,21).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 290.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 30865123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).