5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide

C12H20N4O2 — CID 79465112

IUPAC5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(OC2CCCC(N)C2)c1C(N)=O
InChIInChI=1S/C12H20N4O2/c1-7-10(11(14)17)12(16(2)15-7)18-9-5-3-4-8(13)6-9/h8-9H,3-6,13H2,1-2H3,(H2,14,17)
InChIKeyZTJYSUYZRSMQRY-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.48
Rot. Bonds3

About 5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide

5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 79465112) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide
PubChem CID79465112
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(OC2CCCC(N)C2)c1C(N)=O
InChIInChI=1S/C12H20N4O2/c1-7-10(11(14)17)12(16(2)15-7)18-9-5-3-4-8(13)6-9/h8-9H,3-6,13H2,1-2H3,(H2,14,17)
InChIKeyZTJYSUYZRSMQRY-UHFFFAOYSA-N
XLogP0.48
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide (CID 79465112) is 5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(OC2CCCC(N)C2)c1C(N)=O.
What is the InChIKey of 5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is ZTJYSUYZRSMQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7-10(11(14)17)12(16(2)15-7)18-9-5-3-4-8(13)6-9/h8-9H,3-6,13H2,1-2H3,(H2,14,17).
What are the key properties of 5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide?
5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 79465112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).