1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide

C14H21N7O — CID 171994150

IUPAC1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(CCn3nccn3)C2)cn1
InChIInChI=1S/C14H21N7O/c1-19-10-12(9-17-19)14(22)18-13-3-2-6-20(11-13)7-8-21-15-4-5-16-21/h4-5,9-10,13H,2-3,6-8,11H2,1H3,(H,18,22)
InChIKeyRJTCKWNYHBJLCS-UHFFFAOYSA-N
MW303.37 g/mol
LogP-0.09
Rot. Bonds5

About 1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide

1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 171994150) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide
PubChem CID171994150
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(CCn3nccn3)C2)cn1
InChIInChI=1S/C14H21N7O/c1-19-10-12(9-17-19)14(22)18-13-3-2-6-20(11-13)7-8-21-15-4-5-16-21/h4-5,9-10,13H,2-3,6-8,11H2,1H3,(H,18,22)
InChIKeyRJTCKWNYHBJLCS-UHFFFAOYSA-N
XLogP-0.09
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993172
1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171995331
N-[1-[2-(azepan-1-yl)-2-oxoethyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993873
1-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171993375
N-[1-[(3-cyanophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933813
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993635
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993320
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214
N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933795
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 171996306

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide (CID 171994150) is 1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCCN(CCn3nccn3)C2)cn1.
What is the InChIKey of 1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is RJTCKWNYHBJLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-19-10-12(9-17-19)14(22)18-13-3-2-6-20(11-13)7-8-21-15-4-5-16-21/h4-5,9-10,13H,2-3,6-8,11H2,1H3,(H,18,22).
What are the key properties of 1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide?
1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 171994150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).