2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide

C14H25N3O2 — CID 103941002

IUPAC2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-6-17-11(9-10(2)16-17)13(19)15-12(7-8-18)14(3,4)5/h9,12,18H,6-8H2,1-5H3,(H,15,19)
InChIKeyFLHKAAKMZPYGDA-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.74
Rot. Bonds5

About 2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide

2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide (PubChem CID 103941002) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide
PubChem CID103941002
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-6-17-11(9-10(2)16-17)13(19)15-12(7-8-18)14(3,4)5/h9,12,18H,6-8H2,1-5H3,(H,15,19)
InChIKeyFLHKAAKMZPYGDA-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106356975
2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
CID 66120282
2-ethyl-N-(1-iodo-3-methylbutan-2-yl)-5-methylpyrazole-3-carboxamide
CID 107860041
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 106355702
2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-5-methylpyrazole-3-carboxamide
CID 103919961
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103782574
4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide
CID 106347925
(2S)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]pentanedioic acid
CID 66126115
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 62732888
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415859

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide (CID 103941002) is 2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of 2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide?
The InChIKey is FLHKAAKMZPYGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-17-11(9-10(2)16-17)13(19)15-12(7-8-18)14(3,4)5/h9,12,18H,6-8H2,1-5H3,(H,15,19).
What are the key properties of 2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide?
2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103941002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).