5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide

C13H23N3O2 — CID 111478104

IUPAC5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCC(C)(O)C(C)CC)n[nH]1
InChIInChI=1S/C13H23N3O2/c1-5-9(3)13(4,18)8-14-12(17)11-7-10(6-2)15-16-11/h7,9,18H,5-6,8H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyKESKLYYMKIDRNN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.50
Rot. Bonds6

About 5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide

5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide (PubChem CID 111478104) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide
PubChem CID111478104
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCC(C)(O)C(C)CC)n[nH]1
InChIInChI=1S/C13H23N3O2/c1-5-9(3)13(4,18)8-14-12(17)11-7-10(6-2)15-16-11/h7,9,18H,5-6,8H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyKESKLYYMKIDRNN-UHFFFAOYSA-N
XLogP1.50
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide
CID 111485978
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 66174202
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111477971
5-bromo-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 97317759
2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 81367172
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290
5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide
CID 111446571
4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid
CID 119192093
5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 78876589
5-ethyl-1H-pyrazole-3-carboxylic acid
CID 4913402

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide (CID 111478104) is 5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCC(C)(O)C(C)CC)n[nH]1.
What is the InChIKey of 5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide?
The InChIKey is KESKLYYMKIDRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-9(3)13(4,18)8-14-12(17)11-7-10(6-2)15-16-11/h7,9,18H,5-6,8H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide?
5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 111478104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).