N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide

C16H24N6O2 — CID 56887016

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)c1cn(CC2CCCO2)nn1
InChIInChI=1S/C16H24N6O2/c1-11-14(12(2)18-17-11)6-7-21(3)16(23)15-10-22(20-19-15)9-13-5-4-8-24-13/h10,13H,4-9H2,1-3H3,(H,17,18)
InChIKeyFJCHAGPLWVASJI-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.11
Rot. Bonds6

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 56887016) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
PubChem CID56887016
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)c1cn(CC2CCCO2)nn1
InChIInChI=1S/C16H24N6O2/c1-11-14(12(2)18-17-11)6-7-21(3)16(23)15-10-22(20-19-15)9-13-5-4-8-24-13/h10,13H,4-9H2,1-3H3,(H,17,18)
InChIKeyFJCHAGPLWVASJI-UHFFFAOYSA-N
XLogP1.11
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide (CID 56887016) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide is Cc1n[nH]c(C)c1CCN(C)C(=O)c1cn(CC2CCCO2)nn1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is FJCHAGPLWVASJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11-14(12(2)18-17-11)6-7-21(3)16(23)15-10-22(20-19-15)9-13-5-4-8-24-13/h10,13H,4-9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 56887016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).