4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide

C11H18N4O2 — CID 114628278

IUPAC4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C11H18N4O2/c1-11(2)7(4-8(11)16)14-10(17)9-6(12)5-13-15(9)3/h5,7-8,16H,4,12H2,1-3H3,(H,14,17)
InChIKeyIVBQZBPREKBGCX-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.11
Rot. Bonds2

About 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide

4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide (PubChem CID 114628278) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide
PubChem CID114628278
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C11H18N4O2/c1-11(2)7(4-8(11)16)14-10(17)9-6(12)5-13-15(9)3/h5,7-8,16H,4,12H2,1-3H3,(H,14,17)
InChIKeyIVBQZBPREKBGCX-UHFFFAOYSA-N
XLogP-0.11
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355510
5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628200
3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-2-carboxamide
CID 114628267
4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide
CID 114122196
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 114630465
7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 114632820
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide
CID 114630914
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 114630578
3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628218
3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 114629744
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 104956547

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide (CID 114628278) is 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)NC1CC(O)C1(C)C.
What is the InChIKey of 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is IVBQZBPREKBGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2)7(4-8(11)16)14-10(17)9-6(12)5-13-15(9)3/h5,7-8,16H,4,12H2,1-3H3,(H,14,17).
What are the key properties of 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 114628278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).