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

C16H24N6O2 — CID 56891255

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCc1cc(C)n(CCN(C)C(=O)c2cn(CC3CCCO3)nn2)n1
InChIInChI=1S/C16H24N6O2/c1-12-9-13(2)22(18-12)7-6-20(3)16(23)15-11-21(19-17-15)10-14-5-4-8-24-14/h9,11,14H,4-8,10H2,1-3H3
InChIKeyIIGWBOCQMDIGJX-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.04
Rot. Bonds6

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

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 56891255) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
PubChem CID56891255
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCc1cc(C)n(CCN(C)C(=O)c2cn(CC3CCCO3)nn2)n1
InChIInChI=1S/C16H24N6O2/c1-12-9-13(2)22(18-12)7-6-20(3)16(23)15-11-21(19-17-15)10-14-5-4-8-24-14/h9,11,14H,4-8,10H2,1-3H3
InChIKeyIIGWBOCQMDIGJX-UHFFFAOYSA-N
XLogP1.04
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 17025316
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CID 40433677
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CID 137892453
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CID 137902016
CID 137902016
CID 137902075
CID 137902075
CID 137902129
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CID 137902203
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CID 137904296
CID 137904296

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide (CID 56891255) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide is Cc1cc(C)n(CCN(C)C(=O)c2cn(CC3CCCO3)nn2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is IIGWBOCQMDIGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-12-9-13(2)22(18-12)7-6-20(3)16(23)15-11-21(19-17-15)10-14-5-4-8-24-14/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 56891255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).