5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide

C10H13N5O — CID 82873476

IUPAC5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCc1ccn(C)n1
InChIInChI=1S/C10H13N5O/c1-7-9(6-12-13-7)10(16)11-5-8-3-4-15(2)14-8/h3-4,6H,5H2,1-2H3,(H,11,16)(H,12,13)
InChIKeyVNWNQVCCSQVYNT-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.38
Rot. Bonds3

About 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide

5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 82873476) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID82873476
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCc1ccn(C)n1
InChIInChI=1S/C10H13N5O/c1-7-9(6-12-13-7)10(16)11-5-8-3-4-15(2)14-8/h3-4,6H,5H2,1-2H3,(H,11,16)(H,12,13)
InChIKeyVNWNQVCCSQVYNT-UHFFFAOYSA-N
XLogP0.38
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19329213
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 61066667
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide (CID 82873476) is 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCc1ccn(C)n1.
What is the InChIKey of 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is VNWNQVCCSQVYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-9(6-12-13-7)10(16)11-5-8-3-4-15(2)14-8/h3-4,6H,5H2,1-2H3,(H,11,16)(H,12,13).
What are the key properties of 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 82873476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).