5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide

C19H22N6O — CID 78082179

IUPAC5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide
SMILESCn1cccc1C1CC(C(=O)NCc2ccc(-n3cccn3)cc2)NN1
InChIInChI=1S/C19H22N6O/c1-24-10-2-4-18(24)16-12-17(23-22-16)19(26)20-13-14-5-7-15(8-6-14)25-11-3-9-21-25/h2-11,16-17,22-23H,12-13H2,1H3,(H,20,26)
InChIKeyCRWLTSMJLVBGLT-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.43
Rot. Bonds5

About 5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide

5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 78082179) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide
PubChem CID78082179
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide
SMILESCn1cccc1C1CC(C(=O)NCc2ccc(-n3cccn3)cc2)NN1
InChIInChI=1S/C19H22N6O/c1-24-10-2-4-18(24)16-12-17(23-22-16)19(26)20-13-14-5-7-15(8-6-14)25-11-3-9-21-25/h2-11,16-17,22-23H,12-13H2,1H3,(H,20,26)
InChIKeyCRWLTSMJLVBGLT-UHFFFAOYSA-N
XLogP1.43
TPSA75.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide
CID 78081006
N-[(4-pyrazol-1-ylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290424
N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide
CID 86780207
N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 119290427
(1S,3aS,6aS)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxamide
CID 154571885
5-(2-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986265
(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96539026
5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide
CID 134080673
5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 75264160
5-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75085820
N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605889
5-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-3-carboxamide
CID 134086296

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide (CID 78082179) is 5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide is Cn1cccc1C1CC(C(=O)NCc2ccc(-n3cccn3)cc2)NN1.
What is the InChIKey of 5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is CRWLTSMJLVBGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-24-10-2-4-18(24)16-12-17(23-22-16)19(26)20-13-14-5-7-15(8-6-14)25-11-3-9-21-25/h2-11,16-17,22-23H,12-13H2,1H3,(H,20,26).
What are the key properties of 5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide?
5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 78082179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).