N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

C16H25N7O — CID 70764277

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCc1c(CNC(=O)c2cn(CCC3CCCCN3)nn2)cnn1C
InChIInChI=1S/C16H25N7O/c1-12-13(10-19-22(12)2)9-18-16(24)15-11-23(21-20-15)8-6-14-5-3-4-7-17-14/h10-11,14,17H,3-9H2,1-2H3,(H,18,24)
InChIKeyUYAMSKRTSNDWST-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.78
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (PubChem CID 70764277) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
PubChem CID70764277
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCc1c(CNC(=O)c2cn(CCC3CCCCN3)nn2)cnn1C
InChIInChI=1S/C16H25N7O/c1-12-13(10-19-22(12)2)9-18-16(24)15-11-23(21-20-15)8-6-14-5-3-4-7-17-14/h10-11,14,17H,3-9H2,1-2H3,(H,18,24)
InChIKeyUYAMSKRTSNDWST-UHFFFAOYSA-N
XLogP0.78
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (CID 70764277) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is Cc1c(CNC(=O)c2cn(CCC3CCCCN3)nn2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is UYAMSKRTSNDWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-12-13(10-19-22(12)2)9-18-16(24)15-11-23(21-20-15)8-6-14-5-3-4-7-17-14/h10-11,14,17H,3-9H2,1-2H3,(H,18,24).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70764277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).