4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide

C11H18N4O — CID 117219054

IUPAC4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)n1ncc(N)c1C(=O)NC1CCC1
InChIInChI=1S/C11H18N4O/c1-7(2)15-10(9(12)6-13-15)11(16)14-8-4-3-5-8/h6-8H,3-5,12H2,1-2H3,(H,14,16)
InChIKeyMLOIACVABINFFO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.33
Rot. Bonds3

About 4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide

4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide (PubChem CID 117219054) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide
PubChem CID117219054
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)n1ncc(N)c1C(=O)NC1CCC1
InChIInChI=1S/C11H18N4O/c1-7(2)15-10(9(12)6-13-15)11(16)14-8-4-3-5-8/h6-8H,3-5,12H2,1-2H3,(H,14,16)
InChIKeyMLOIACVABINFFO-UHFFFAOYSA-N
XLogP1.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide
CID 117213743
4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982
methyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219177
4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide
CID 114122196
ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219180
5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117218445
N-cyclopentyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 903286
N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 713201
4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide
CID 103062218
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 71900391
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide (CID 117219054) is 4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide is CC(C)n1ncc(N)c1C(=O)NC1CCC1.
What is the InChIKey of 4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is MLOIACVABINFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(2)15-10(9(12)6-13-15)11(16)14-8-4-3-5-8/h6-8H,3-5,12H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide?
4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 117219054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).