N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C12H21N3O2 — CID 103825509

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(C)(C)CCO
InChIInChI=1S/C12H21N3O2/c1-8-10(9(2)15-14-8)11(17)13-7-12(3,4)5-6-16/h16H,5-7H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyJFSRGRIRVCIFLK-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.16
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 103825509) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID103825509
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(C)(C)CCO
InChIInChI=1S/C12H21N3O2/c1-8-10(9(2)15-14-8)11(17)13-7-12(3,4)5-6-16/h16H,5-7H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyJFSRGRIRVCIFLK-UHFFFAOYSA-N
XLogP1.16
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427297
3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide
CID 115665363
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113283180
N-(4-hydroxy-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103772900
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 106139377
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107854505
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide
CID 103772304
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 54944517

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 103825509) is N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCC(C)(C)CCO.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is JFSRGRIRVCIFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-10(9(2)15-14-8)11(17)13-7-12(3,4)5-6-16/h16H,5-7H2,1-4H3,(H,13,17)(H,14,15).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103825509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).