N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

C20H23N5O — CID 56789515

IUPACN-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCN(C)CCN(Cc1cccnc1)C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C20H23N5O/c1-23(2)13-14-24(16-17-7-6-11-21-15-17)20(26)19-10-12-25(22-19)18-8-4-3-5-9-18/h3-12,15H,13-14,16H2,1-2H3
InChIKeyXAUDFSIQSIGNPL-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 56789515) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID56789515
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCN(C)CCN(Cc1cccnc1)C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C20H23N5O/c1-23(2)13-14-24(16-17-7-6-11-21-15-17)20(26)19-10-12-25(22-19)18-8-4-3-5-9-18/h3-12,15H,13-14,16H2,1-2H3
InChIKeyXAUDFSIQSIGNPL-UHFFFAOYSA-N
XLogP2.47
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (CID 56789515) is N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is CN(C)CCN(Cc1cccnc1)C(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is XAUDFSIQSIGNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23(2)13-14-24(16-17-7-6-11-21-15-17)20(26)19-10-12-25(22-19)18-8-4-3-5-9-18/h3-12,15H,13-14,16H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 56789515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).