N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide

C19H21N5O — CID 166183764

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccc(N(C)C)nc1)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H21N5O/c1-23(2)18-10-9-14(12-20-18)13-24(3)19(25)17-11-16(21-22-17)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,21,22)
InChIKeyVPDKVLJKMMATMH-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.81
Rot. Bonds5

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 166183764) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID166183764
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccc(N(C)C)nc1)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H21N5O/c1-23(2)18-10-9-14(12-20-18)13-24(3)19(25)17-11-16(21-22-17)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,21,22)
InChIKeyVPDKVLJKMMATMH-UHFFFAOYSA-N
XLogP2.81
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide (CID 166183764) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide is CN(Cc1ccc(N(C)C)nc1)C(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is VPDKVLJKMMATMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23(2)18-10-9-14(12-20-18)13-24(3)19(25)17-11-16(21-22-17)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,21,22).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166183764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).