1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride

C20H22ClN5O2 — CID 23143613

IUPAC1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc(-n2nc(C(=O)NC3CCNC3)cc2-c2ccccc2)cn1.Cl
InChIInChI=1S/C20H21N5O2.ClH/c1-27-19-8-7-16(13-22-19)25-18(14-5-3-2-4-6-14)11-17(24-25)20(26)23-15-9-10-21-12-15;/h2-8,11,13,15,21H,9-10,12H2,1H3,(H,23,26);1H
InChIKeyAMEQIZJTSGJRLZ-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.46
Rot. Bonds5

About 1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride

1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride (PubChem CID 23143613) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
PubChem CID23143613
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc(-n2nc(C(=O)NC3CCNC3)cc2-c2ccccc2)cn1.Cl
InChIInChI=1S/C20H21N5O2.ClH/c1-27-19-8-7-16(13-22-19)25-18(14-5-3-2-4-6-14)11-17(24-25)20(26)23-15-9-10-21-12-15;/h2-8,11,13,15,21H,9-10,12H2,1H3,(H,23,26);1H
InChIKeyAMEQIZJTSGJRLZ-UHFFFAOYSA-N
XLogP2.46
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride (CID 23143613) is 1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride is COc1ccc(-n2nc(C(=O)NC3CCNC3)cc2-c2ccccc2)cn1.Cl.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is AMEQIZJTSGJRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2.ClH/c1-27-19-8-7-16(13-22-19)25-18(14-5-3-2-4-6-14)11-17(24-25)20(26)23-15-9-10-21-12-15;/h2-8,11,13,15,21H,9-10,12H2,1H3,(H,23,26);1H.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 399.88 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 23143613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).