5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide

C11H18N4O — CID 23024270

IUPAC5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C2CCCCC2)c(C(N)=O)c1N
InChIInChI=1S/C11H18N4O/c1-15-10(12)8(11(13)16)9(14-15)7-5-3-2-4-6-7/h7H,2-6,12H2,1H3,(H2,13,16)
InChIKeyIKUXBEAMCJRXST-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.15
Rot. Bonds2

About 5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide

5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide (PubChem CID 23024270) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide
PubChem CID23024270
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C2CCCCC2)c(C(N)=O)c1N
InChIInChI=1S/C11H18N4O/c1-15-10(12)8(11(13)16)9(14-15)7-5-3-2-4-6-7/h7H,2-6,12H2,1H3,(H2,13,16)
InChIKeyIKUXBEAMCJRXST-UHFFFAOYSA-N
XLogP1.15
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide (CID 23024270) is 5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide is Cn1nc(C2CCCCC2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide?
The InChIKey is IKUXBEAMCJRXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-10(12)8(11(13)16)9(14-15)7-5-3-2-4-6-7/h7H,2-6,12H2,1H3,(H2,13,16).
What are the key properties of 5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide?
5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclohexyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 23024270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).