N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide

C17H19N3O3 — CID 110004021

IUPACN-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide
SMILESCc1ccccc1-c1cc(NC(=O)C2CC(=O)C2)n(CCO)n1
InChIInChI=1S/C17H19N3O3/c1-11-4-2-3-5-14(11)15-10-16(20(19-15)6-7-21)18-17(23)12-8-13(22)9-12/h2-5,10,12,21H,6-9H2,1H3,(H,18,23)
InChIKeyQFBRSFDGYUBGKJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.77
Rot. Bonds5

About N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide

N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide (PubChem CID 110004021) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide
PubChem CID110004021
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide
SMILESCc1ccccc1-c1cc(NC(=O)C2CC(=O)C2)n(CCO)n1
InChIInChI=1S/C17H19N3O3/c1-11-4-2-3-5-14(11)15-10-16(20(19-15)6-7-21)18-17(23)12-8-13(22)9-12/h2-5,10,12,21H,6-9H2,1H3,(H,18,23)
InChIKeyQFBRSFDGYUBGKJ-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,6S)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775066
(2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide
CID 97007846
1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
CID 52875986
1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
CID 47090473
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]pent-4-enamide
CID 110928314
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide
CID 110928306
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide
CID 110027521
1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95282305
2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol
CID 110928739
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 167942610
2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol
CID 110929217
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 110482309

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide (CID 110004021) is N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide is Cc1ccccc1-c1cc(NC(=O)C2CC(=O)C2)n(CCO)n1.
What is the InChIKey of N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide?
The InChIKey is QFBRSFDGYUBGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-4-2-3-5-14(11)15-10-16(20(19-15)6-7-21)18-17(23)12-8-13(22)9-12/h2-5,10,12,21H,6-9H2,1H3,(H,18,23).
What are the key properties of N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide?
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 110004021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).