4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide

C12H19N5O2 — CID 17383806

IUPAC4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)NC2CCCCC2)c(C(N)=O)n1
InChIInChI=1S/C12H19N5O2/c1-17-7-9(10(16-17)11(13)18)15-12(19)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,13,18)(H2,14,15,19)
InChIKeyUBGGDHSAMUWRRW-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.97
Rot. Bonds3

About 4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide

4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide (PubChem CID 17383806) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide
PubChem CID17383806
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)NC2CCCCC2)c(C(N)=O)n1
InChIInChI=1S/C12H19N5O2/c1-17-7-9(10(16-17)11(13)18)15-12(19)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,13,18)(H2,14,15,19)
InChIKeyUBGGDHSAMUWRRW-UHFFFAOYSA-N
XLogP0.97
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide (CID 17383806) is 4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide is Cn1cc(NC(=O)NC2CCCCC2)c(C(N)=O)n1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide?
The InChIKey is UBGGDHSAMUWRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-17-7-9(10(16-17)11(13)18)15-12(19)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,13,18)(H2,14,15,19).
What are the key properties of 4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide?
4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 17383806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).