5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide

C20H21N5O2 — CID 134080673

IUPAC5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1ccccc1-n1cccn1)C1CC(c2ccccc2O)NN1
InChIInChI=1S/C20H21N5O2/c26-19-9-4-2-7-15(19)16-12-17(24-23-16)20(27)21-13-14-6-1-3-8-18(14)25-11-5-10-22-25/h1-11,16-17,23-24,26H,12-13H2,(H,21,27)
InChIKeySQRVGDWBTJCTCP-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.80
Rot. Bonds5

About 5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide

5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 134080673) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide
PubChem CID134080673
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1ccccc1-n1cccn1)C1CC(c2ccccc2O)NN1
InChIInChI=1S/C20H21N5O2/c26-19-9-4-2-7-15(19)16-12-17(24-23-16)20(27)21-13-14-6-1-3-8-18(14)25-11-5-10-22-25/h1-11,16-17,23-24,26H,12-13H2,(H,21,27)
InChIKeySQRVGDWBTJCTCP-UHFFFAOYSA-N
XLogP1.80
TPSA91.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide
CID 97080000
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
5-(2-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986265
(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95720438
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
CID 134080022
5-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazolidine-3-carboxamide
CID 134080669
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047
1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 56820950
(9R)-N-[(2-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125168088
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 119739831
5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986650
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide (CID 134080673) is 5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide is O=C(NCc1ccccc1-n1cccn1)C1CC(c2ccccc2O)NN1.
What is the InChIKey of 5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is SQRVGDWBTJCTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19-9-4-2-7-15(19)16-12-17(24-23-16)20(27)21-13-14-6-1-3-8-18(14)25-11-5-10-22-25/h1-11,16-17,23-24,26H,12-13H2,(H,21,27).
What are the key properties of 5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide?
5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 134080673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).