1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide

C18H23N3O3 — CID 166263151

IUPAC1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cccc(O)c2O)cnn1C1CCCC1
InChIInChI=1S/C18H23N3O3/c1-2-15-14(11-20-21(15)13-7-3-4-8-13)18(24)19-10-12-6-5-9-16(22)17(12)23/h5-6,9,11,13,22-23H,2-4,7-8,10H2,1H3,(H,19,24)
InChIKeyCTXAHNUJAJLHRS-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.90
Rot. Bonds5

About 1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide

1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide (PubChem CID 166263151) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
PubChem CID166263151
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cccc(O)c2O)cnn1C1CCCC1
InChIInChI=1S/C18H23N3O3/c1-2-15-14(11-20-21(15)13-7-3-4-8-13)18(24)19-10-12-6-5-9-16(22)17(12)23/h5-6,9,11,13,22-23H,2-4,7-8,10H2,1H3,(H,19,24)
InChIKeyCTXAHNUJAJLHRS-UHFFFAOYSA-N
XLogP2.90
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 126768124
1-cycloheptyl-5-propylpyrazole-4-carboxylic acid
CID 61272610
4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole
CID 66438608
N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide
CID 139001207
N-[(1-cyclopentyl-5-ethylpyrazol-4-yl)methyl]cyclopropanamine
CID 66441337
N-[(2,3-dihydroxyphenyl)methyl]benzamide
CID 143948328
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39043684
1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386
N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66441750
3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 122107208
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 37397456

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide (CID 166263151) is 1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NCc2cccc(O)c2O)cnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide?
The InChIKey is CTXAHNUJAJLHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-15-14(11-20-21(15)13-7-3-4-8-13)18(24)19-10-12-6-5-9-16(22)17(12)23/h5-6,9,11,13,22-23H,2-4,7-8,10H2,1H3,(H,19,24).
What are the key properties of 1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide?
1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 166263151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).