4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline

C24H24N4O — CID 95840267

IUPAC4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline
SMILESCOc1cccc(-c2cn[nH]c2[C@H]2CCCN2Cc2ccnc3ccccc23)c1
InChIInChI=1S/C24H24N4O/c1-29-19-7-4-6-17(14-19)21-15-26-27-24(21)23-10-5-13-28(23)16-18-11-12-25-22-9-3-2-8-20(18)22/h2-4,6-9,11-12,14-15,23H,5,10,13,16H2,1H3,(H,26,27)/t23-/m1/s1
InChIKeyOZSFXZHPZNGIJS-HSZRJFAPSA-N
MW384.48 g/mol
LogP4.97
Rot. Bonds5

About 4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline

4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline (PubChem CID 95840267) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline
PubChem CID95840267
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline
SMILESCOc1cccc(-c2cn[nH]c2[C@H]2CCCN2Cc2ccnc3ccccc23)c1
InChIInChI=1S/C24H24N4O/c1-29-19-7-4-6-17(14-19)21-15-26-27-24(21)23-10-5-13-28(23)16-18-11-12-25-22-9-3-2-8-20(18)22/h2-4,6-9,11-12,14-15,23H,5,10,13,16H2,1H3,(H,26,27)/t23-/m1/s1
InChIKeyOZSFXZHPZNGIJS-HSZRJFAPSA-N
XLogP4.97
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline 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 4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline?
The IUPAC name of 4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline (CID 95840267) is 4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline.
What is the SMILES notation for 4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline?
The canonical SMILES for 4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline is COc1cccc(-c2cn[nH]c2[C@H]2CCCN2Cc2ccnc3ccccc23)c1.
What is the InChIKey of 4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline?
The InChIKey is OZSFXZHPZNGIJS-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24N4O/c1-29-19-7-4-6-17(14-19)21-15-26-27-24(21)23-10-5-13-28(23)16-18-11-12-25-22-9-3-2-8-20(18)22/h2-4,6-9,11-12,14-15,23H,5,10,13,16H2,1H3,(H,26,27)/t23-/m1/s1.
What are the key properties of 4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline?
4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline has a molecular weight of 384.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline is sourced from PubChem (CID 95840267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).