1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide

C12H21N3O2 — CID 111460800

IUPAC1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCC(O)C(C)C)cn1
InChIInChI=1S/C12H21N3O2/c1-4-15-8-10(7-14-15)12(17)13-6-5-11(16)9(2)3/h7-9,11,16H,4-6H2,1-3H3,(H,13,17)
InChIKeyPVBVCFLVBCMIDQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.04
Rot. Bonds6

About 1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide

1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide (PubChem CID 111460800) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
PubChem CID111460800
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCC(O)C(C)C)cn1
InChIInChI=1S/C12H21N3O2/c1-4-15-8-10(7-14-15)12(17)13-6-5-11(16)9(2)3/h7-9,11,16H,4-6H2,1-3H3,(H,13,17)
InChIKeyPVBVCFLVBCMIDQ-UHFFFAOYSA-N
XLogP1.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111461412
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460687
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
CID 111484338
N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
1-(1-ethylpyrazol-4-yl)-2-methylpentan-1-one
CID 114964401
3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 111461509
6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460539
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 71931193
N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
CID 75523998
N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 126454671

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide (CID 111460800) is 1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide is CCn1cc(C(=O)NCCC(O)C(C)C)cn1.
What is the InChIKey of 1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide?
The InChIKey is PVBVCFLVBCMIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-15-8-10(7-14-15)12(17)13-6-5-11(16)9(2)3/h7-9,11,16H,4-6H2,1-3H3,(H,13,17).
What are the key properties of 1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide?
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide is sourced from PubChem (CID 111460800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).