N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide

C15H23N7O — CID 126773265

IUPACN-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCCCn1cc(NC(=O)N2CCC(Cn3ccnn3)CC2)cn1
InChIInChI=1S/C15H23N7O/c1-2-6-21-12-14(10-17-21)18-15(23)20-7-3-13(4-8-20)11-22-9-5-16-19-22/h5,9-10,12-13H,2-4,6-8,11H2,1H3,(H,18,23)
InChIKeyNUSNXALTMGLSNB-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.83
Rot. Bonds5

About N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide

N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 126773265) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID126773265
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC NameN-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCCCn1cc(NC(=O)N2CCC(Cn3ccnn3)CC2)cn1
InChIInChI=1S/C15H23N7O/c1-2-6-21-12-14(10-17-21)18-15(23)20-7-3-13(4-8-20)11-22-9-5-16-19-22/h5,9-10,12-13H,2-4,6-8,11H2,1H3,(H,18,23)
InChIKeyNUSNXALTMGLSNB-UHFFFAOYSA-N
XLogP1.83
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 75388055
N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71994414
N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
2-(1-acetylpiperidin-4-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 92631853
(3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 96567739
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 99623368
[(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 128504001
4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 55835858
4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90495359
(3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 95749363
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180
4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 154752369

Frequently Asked Questions

What is the IUPAC name of N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide (CID 126773265) is N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide is CCCn1cc(NC(=O)N2CCC(Cn3ccnn3)CC2)cn1.
What is the InChIKey of N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is NUSNXALTMGLSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-2-6-21-12-14(10-17-21)18-15(23)20-7-3-13(4-8-20)11-22-9-5-16-19-22/h5,9-10,12-13H,2-4,6-8,11H2,1H3,(H,18,23).
What are the key properties of N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126773265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).