4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide

C12H15N5O — CID 62323870

IUPAC4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cccc(CNC(=O)c2n[nH]c(C)c2N)n1
InChIInChI=1S/C12H15N5O/c1-7-4-3-5-9(15-7)6-14-12(18)11-10(13)8(2)16-17-11/h3-5H,6,13H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyRIBPJDOLEFDMND-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.93
Rot. Bonds3

About 4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 62323870) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID62323870
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cccc(CNC(=O)c2n[nH]c(C)c2N)n1
InChIInChI=1S/C12H15N5O/c1-7-4-3-5-9(15-7)6-14-12(18)11-10(13)8(2)16-17-11/h3-5H,6,13H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyRIBPJDOLEFDMND-UHFFFAOYSA-N
XLogP0.93
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide (CID 62323870) is 4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide is Cc1cccc(CNC(=O)c2n[nH]c(C)c2N)n1.
What is the InChIKey of 4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RIBPJDOLEFDMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-4-3-5-9(15-7)6-14-12(18)11-10(13)8(2)16-17-11/h3-5H,6,13H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62323870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).