3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide

C17H21N3O3 — CID 126833913

IUPAC3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide
SMILESCOCCn1cc(NC(=O)C2(c3ccccc3)CC(O)C2)cn1
InChIInChI=1S/C17H21N3O3/c1-23-8-7-20-12-14(11-18-20)19-16(22)17(9-15(21)10-17)13-5-3-2-4-6-13/h2-6,11-12,15,21H,7-10H2,1H3,(H,19,22)
InChIKeyHAJBKBGFLFJODR-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.56
Rot. Bonds6

About 3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide

3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 126833913) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide
PubChem CID126833913
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide
SMILESCOCCn1cc(NC(=O)C2(c3ccccc3)CC(O)C2)cn1
InChIInChI=1S/C17H21N3O3/c1-23-8-7-20-12-14(11-18-20)19-16(22)17(9-15(21)10-17)13-5-3-2-4-6-13/h2-6,11-12,15,21H,7-10H2,1H3,(H,19,22)
InChIKeyHAJBKBGFLFJODR-UHFFFAOYSA-N
XLogP1.56
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
(1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97063111
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylcyclopentane-1-carboxamide
CID 82765458
4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119728728
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
CID 80597322
2-(cyclopentylamino)-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 54928520
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 51105702
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 55794321
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide (CID 126833913) is 3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide is COCCn1cc(NC(=O)C2(c3ccccc3)CC(O)C2)cn1.
What is the InChIKey of 3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is HAJBKBGFLFJODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-23-8-7-20-12-14(11-18-20)19-16(22)17(9-15(21)10-17)13-5-3-2-4-6-13/h2-6,11-12,15,21H,7-10H2,1H3,(H,19,22).
What are the key properties of 3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide?
3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 126833913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).