N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide

C18H19N5O — CID 58081323

IUPACN-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide
SMILESCc1cc(N)ncc1CNC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H19N5O/c1-13-7-17(19)20-8-15(13)9-21-18(24)16-10-22-23(12-16)11-14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H2,19,20)(H,21,24)
InChIKeyVEZNOACNEPSKKA-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.15
Rot. Bonds5

About N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide

N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide (PubChem CID 58081323) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide
PubChem CID58081323
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide
SMILESCc1cc(N)ncc1CNC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H19N5O/c1-13-7-17(19)20-8-15(13)9-21-18(24)16-10-22-23(12-16)11-14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H2,19,20)(H,21,24)
InChIKeyVEZNOACNEPSKKA-UHFFFAOYSA-N
XLogP2.15
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]methyl]pyrazole-4-carboxamide
CID 171089908
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzyl-N-[[3-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 155945718
1-benzyl-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 86996216
N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319
1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24504538
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-benzyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836332
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 56836261
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide (CID 58081323) is N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide is Cc1cc(N)ncc1CNC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide?
The InChIKey is VEZNOACNEPSKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-7-17(19)20-8-15(13)9-21-18(24)16-10-22-23(12-16)11-14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H2,19,20)(H,21,24).
What are the key properties of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide?
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide is sourced from PubChem (CID 58081323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).