N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide

C12H19N3O2 — CID 102684082

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C12H19N3O2/c1-9-11(8-14(2)13-9)12(17)15(6-7-16)10-4-3-5-10/h8,10,16H,3-7H2,1-2H3
InChIKeyFUYQISWKPQDXTB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.72
Rot. Bonds4

About N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide

N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 102684082) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID102684082
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C12H19N3O2/c1-9-11(8-14(2)13-9)12(17)15(6-7-16)10-4-3-5-10/h8,10,16H,3-7H2,1-2H3
InChIKeyFUYQISWKPQDXTB-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-cyclopentyl-1,3-dimethylpyrazole-4-carboxamide
CID 102801032
N-cyclopropyl-1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 102802042
N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide
CID 127315953
N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830779
N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102872261
N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
CID 102685018
N-cyclohexyl-N-(2-hydroxyethyl)-5-methylfuran-3-carboxamide
CID 114821743
N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809889
N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 74238255
2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 154740857
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801123
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide (CID 102684082) is N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is FUYQISWKPQDXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-11(8-14(2)13-9)12(17)15(6-7-16)10-4-3-5-10/h8,10,16H,3-7H2,1-2H3.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide?
N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102684082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).