(2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide

C21H23N5O — CID 169177060

IUPAC(2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1-c1ccccn1
InChIInChI=1S/C21H23N5O/c1-15-8-9-17(12-18(15)19-6-3-4-10-22-19)24-21(27)26-11-5-7-20(26)16-13-23-25(2)14-16/h3-4,6,8-10,12-14,20H,5,7,11H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyNZTBXTCNWJYCAZ-HXUWFJFHSA-N
MW361.45 g/mol
LogP4.16
Rot. Bonds3

About (2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide

(2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 169177060) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID169177060
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1-c1ccccn1
InChIInChI=1S/C21H23N5O/c1-15-8-9-17(12-18(15)19-6-3-4-10-22-19)24-21(27)26-11-5-7-20(26)16-13-23-25(2)14-16/h3-4,6,8-10,12-14,20H,5,7,11H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyNZTBXTCNWJYCAZ-HXUWFJFHSA-N
XLogP4.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide (CID 169177060) is (2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1-c1ccccn1.
What is the InChIKey of (2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is NZTBXTCNWJYCAZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-8-9-17(12-18(15)19-6-3-4-10-22-19)24-21(27)26-11-5-7-20(26)16-13-23-25(2)14-16/h3-4,6,8-10,12-14,20H,5,7,11H2,1-2H3,(H,24,27)/t20-/m1/s1.
What are the key properties of (2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide?
(2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 169177060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).