N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide

C13H20N4O2 — CID 77082666

IUPACN-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)C1CCC(CNC(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C13H20N4O2/c1-14-12(18)10-4-2-9(3-5-10)6-15-13(19)11-7-16-17-8-11/h7-10H,2-6H2,1H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeySLXUYBOIYMLBGT-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.69
Rot. Bonds4

About N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide

N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 77082666) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID77082666
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)C1CCC(CNC(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C13H20N4O2/c1-14-12(18)10-4-2-9(3-5-10)6-15-13(19)11-7-16-17-8-11/h7-10H,2-6H2,1H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeySLXUYBOIYMLBGT-UHFFFAOYSA-N
XLogP0.69
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide (CID 77082666) is N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide is CNC(=O)C1CCC(CNC(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is SLXUYBOIYMLBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-14-12(18)10-4-2-9(3-5-10)6-15-13(19)11-7-16-17-8-11/h7-10H,2-6H2,1H3,(H,14,18)(H,15,19)(H,16,17).
What are the key properties of N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77082666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).