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

C12H15N5O — CID 114957256

IUPAC5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccncc1CNC(=O)c1cnn(C)c1N
InChIInChI=1S/C12H15N5O/c1-8-3-4-14-5-9(8)6-15-12(18)10-7-16-17(2)11(10)13/h3-5,7H,6,13H2,1-2H3,(H,15,18)
InChIKeyIEWRJMHALKUGNT-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.64
Rot. Bonds3

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

5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 114957256) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID114957256
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccncc1CNC(=O)c1cnn(C)c1N
InChIInChI=1S/C12H15N5O/c1-8-3-4-14-5-9(8)6-15-12(18)10-7-16-17(2)11(10)13/h3-5,7H,6,13H2,1-2H3,(H,15,18)
InChIKeyIEWRJMHALKUGNT-UHFFFAOYSA-N
XLogP0.64
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 113288594
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 112671836
5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 115330748
5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 115330998
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
5-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 115330468
2-amino-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955918
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
2-hydroxy-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114956373
4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide
CID 114954354
2-amino-N-[(4-methyl-3-pyridinyl)methyl]-3-nitrobenzamide
CID 114957471
2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955995

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide (CID 114957256) is 5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide is Cc1ccncc1CNC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is IEWRJMHALKUGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-3-4-14-5-9(8)6-15-12(18)10-7-16-17(2)11(10)13/h3-5,7H,6,13H2,1-2H3,(H,15,18).
What are the key properties of 5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 114957256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).