1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide

C17H28N4O — CID 140519167

IUPAC1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCCC2CN2CCCCC2)cn1
InChIInChI=1S/C17H28N4O/c1-20-12-15(11-18-20)17(22)19-16-8-4-3-7-14(16)13-21-9-5-2-6-10-21/h11-12,14,16H,2-10,13H2,1H3,(H,19,22)
InChIKeyQEUYEDNLHQLHSA-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.19
Rot. Bonds4

About 1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide

1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide (PubChem CID 140519167) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide
PubChem CID140519167
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCCC2CN2CCCCC2)cn1
InChIInChI=1S/C17H28N4O/c1-20-12-15(11-18-20)17(22)19-16-8-4-3-7-14(16)13-21-9-5-2-6-10-21/h11-12,14,16H,2-10,13H2,1H3,(H,19,22)
InChIKeyQEUYEDNLHQLHSA-UHFFFAOYSA-N
XLogP2.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide (CID 140519167) is 1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCCCC2CN2CCCCC2)cn1.
What is the InChIKey of 1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide?
The InChIKey is QEUYEDNLHQLHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-20-12-15(11-18-20)17(22)19-16-8-4-3-7-14(16)13-21-9-5-2-6-10-21/h11-12,14,16H,2-10,13H2,1H3,(H,19,22).
What are the key properties of 1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide?
1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]pyrazole-4-carboxamide is sourced from PubChem (CID 140519167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).