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

C14H22N6O — CID 6499048

IUPAC3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide
SMILESCc1nc(C)n(CC(C)C(=O)N(C)Cc2cc(C)[nH]n2)n1
InChIInChI=1S/C14H22N6O/c1-9(7-20-12(4)15-11(3)18-20)14(21)19(5)8-13-6-10(2)16-17-13/h6,9H,7-8H2,1-5H3,(H,16,17)
InChIKeyMOWPNKNBIAIDBO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.22
Rot. Bonds5

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

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide (PubChem CID 6499048) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide
PubChem CID6499048
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide
SMILESCc1nc(C)n(CC(C)C(=O)N(C)Cc2cc(C)[nH]n2)n1
InChIInChI=1S/C14H22N6O/c1-9(7-20-12(4)15-11(3)18-20)14(21)19(5)8-13-6-10(2)16-17-13/h6,9H,7-8H2,1-5H3,(H,16,17)
InChIKeyMOWPNKNBIAIDBO-UHFFFAOYSA-N
XLogP1.22
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide (CID 6499048) is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide is Cc1nc(C)n(CC(C)C(=O)N(C)Cc2cc(C)[nH]n2)n1.
What is the InChIKey of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide?
The InChIKey is MOWPNKNBIAIDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-9(7-20-12(4)15-11(3)18-20)14(21)19(5)8-13-6-10(2)16-17-13/h6,9H,7-8H2,1-5H3,(H,16,17).
What are the key properties of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide?
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide has a molecular weight of 290.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 6499048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).