N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide

C19H20ClN5O — CID 56835922

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C19H20ClN5O/c1-12-6-18(21)24-13(2)17(12)9-22-19(26)15-8-23-25(11-15)10-14-4-3-5-16(20)7-14/h3-8,11H,9-10H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyKUZFJXVHEYBFPA-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.11
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 56835922) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide
PubChem CID56835922
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C19H20ClN5O/c1-12-6-18(21)24-13(2)17(12)9-22-19(26)15-8-23-25(11-15)10-14-4-3-5-16(20)7-14/h3-8,11H,9-10H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyKUZFJXVHEYBFPA-UHFFFAOYSA-N
XLogP3.11
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide (CID 56835922) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is KUZFJXVHEYBFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-12-6-18(21)24-13(2)17(12)9-22-19(26)15-8-23-25(11-15)10-14-4-3-5-16(20)7-14/h3-8,11H,9-10H2,1-2H3,(H2,21,24)(H,22,26).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56835922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).