N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide

C12H21N3O2 — CID 103658436

IUPACN-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1ccnn1C
InChIInChI=1S/C12H21N3O2/c1-4-9(5-2)11(16)8-13-12(17)10-6-7-14-15(10)3/h6-7,9,11,16H,4-5,8H2,1-3H3,(H,13,17)
InChIKeyVTOBUAPLYBQGJM-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.95
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide

N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide (PubChem CID 103658436) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide
PubChem CID103658436
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1ccnn1C
InChIInChI=1S/C12H21N3O2/c1-4-9(5-2)11(16)8-13-12(17)10-6-7-14-15(10)3/h6-7,9,11,16H,4-5,8H2,1-3H3,(H,13,17)
InChIKeyVTOBUAPLYBQGJM-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 107833827
2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 106107552
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 110281226
2-methyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
CID 81478587
N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide
CID 131949973
(E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 103770651
N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide
CID 107261964
4-cyano-N-(3-ethyl-2-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 111911987
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 111697762
N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
CID 103803885
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
CID 106130377

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide (CID 103658436) is N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide is CCC(CC)C(O)CNC(=O)c1ccnn1C.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is VTOBUAPLYBQGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-9(5-2)11(16)8-13-12(17)10-6-7-14-15(10)3/h6-7,9,11,16H,4-5,8H2,1-3H3,(H,13,17).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103658436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).