3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide

C13H21N3O2 — CID 66121924

IUPAC3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC2(O)CCCC2)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-3-10-8-11(16(2)15-10)12(17)14-9-13(18)6-4-5-7-13/h8,18H,3-7,9H2,1-2H3,(H,14,17)
InChIKeyKYDZBDLJNOCGFH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.02
Rot. Bonds4

About 3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide

3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 66121924) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
PubChem CID66121924
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC2(O)CCCC2)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-3-10-8-11(16(2)15-10)12(17)14-9-13(18)6-4-5-7-13/h8,18H,3-7,9H2,1-2H3,(H,14,17)
InChIKeyKYDZBDLJNOCGFH-UHFFFAOYSA-N
XLogP1.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103969422
1-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433032
3-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpyrazole-5-carboxamide
CID 113313377
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103970100
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120336
N-[(1-hydroxycyclopentyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 113236280
N-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole-5-carboxamide
CID 115455858
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide (CID 66121924) is 3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NCC2(O)CCCC2)n(C)n1.
What is the InChIKey of 3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is KYDZBDLJNOCGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-10-8-11(16(2)15-10)12(17)14-9-13(18)6-4-5-7-13/h8,18H,3-7,9H2,1-2H3,(H,14,17).
What are the key properties of 3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide?
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66121924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).