N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide

C11H16N4O2 — CID 54913899

IUPACN-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)C1CCC(NC(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H16N4O2/c12-10(16)7-1-3-9(4-2-7)15-11(17)8-5-13-14-6-8/h5-7,9H,1-4H2,(H2,12,16)(H,13,14)(H,15,17)
InChIKeyHSXXHOGNEANRGU-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.18
Rot. Bonds3

About N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide

N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide (PubChem CID 54913899) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide
PubChem CID54913899
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)C1CCC(NC(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H16N4O2/c12-10(16)7-1-3-9(4-2-7)15-11(17)8-5-13-14-6-8/h5-7,9H,1-4H2,(H2,12,16)(H,13,14)(H,15,17)
InChIKeyHSXXHOGNEANRGU-UHFFFAOYSA-N
XLogP0.18
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide (CID 54913899) is N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide is NC(=O)C1CCC(NC(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide?
The InChIKey is HSXXHOGNEANRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-10(16)7-1-3-9(4-2-7)15-11(17)8-5-13-14-6-8/h5-7,9H,1-4H2,(H2,12,16)(H,13,14)(H,15,17).
What are the key properties of N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide?
N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54913899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).