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

C14H22N6O — CID 71700555

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)Nc1n[nH]c(CC(C)C)n1
InChIInChI=1S/C14H22N6O/c1-8(2)7-12-15-14(20-19-12)16-13(21)6-5-11-9(3)17-18-10(11)4/h8H,5-7H2,1-4H3,(H,17,18)(H2,15,16,19,20,21)
InChIKeyOBKPHKCNBNDVIA-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.91
Rot. Bonds6

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 71700555) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID71700555
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)Nc1n[nH]c(CC(C)C)n1
InChIInChI=1S/C14H22N6O/c1-8(2)7-12-15-14(20-19-12)16-13(21)6-5-11-9(3)17-18-10(11)4/h8H,5-7H2,1-4H3,(H,17,18)(H2,15,16,19,20,21)
InChIKeyOBKPHKCNBNDVIA-UHFFFAOYSA-N
XLogP1.91
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide (CID 71700555) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide is Cc1n[nH]c(C)c1CCC(=O)Nc1n[nH]c(CC(C)C)n1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is OBKPHKCNBNDVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-8(2)7-12-15-14(20-19-12)16-13(21)6-5-11-9(3)17-18-10(11)4/h8H,5-7H2,1-4H3,(H,17,18)(H2,15,16,19,20,21).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 290.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 71700555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).