1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide

C22H24N4O — CID 90619862

IUPAC1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NCC1CCCN1c1ccccc1
InChIInChI=1S/C22H24N4O/c1-25-21(15-20(24-25)17-9-4-2-5-10-17)22(27)23-16-19-13-8-14-26(19)18-11-6-3-7-12-18/h2-7,9-12,15,19H,8,13-14,16H2,1H3,(H,23,27)
InChIKeyUYSHTJSNRJTPDR-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.49
Rot. Bonds5

About 1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide

1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide (PubChem CID 90619862) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
PubChem CID90619862
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NCC1CCCN1c1ccccc1
InChIInChI=1S/C22H24N4O/c1-25-21(15-20(24-25)17-9-4-2-5-10-17)22(27)23-16-19-13-8-14-26(19)18-11-6-3-7-12-18/h2-7,9-12,15,19H,8,13-14,16H2,1H3,(H,23,27)
InChIKeyUYSHTJSNRJTPDR-UHFFFAOYSA-N
XLogP3.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide (CID 90619862) is 1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)NCC1CCCN1c1ccccc1.
What is the InChIKey of 1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is UYSHTJSNRJTPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-25-21(15-20(24-25)17-9-4-2-5-10-17)22(27)23-16-19-13-8-14-26(19)18-11-6-3-7-12-18/h2-7,9-12,15,19H,8,13-14,16H2,1H3,(H,23,27).
What are the key properties of 1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide?
1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 90619862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).