5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide

C11H16N6O — CID 112671836

IUPAC5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cnn(C)c1N
InChIInChI=1S/C11H16N6O/c1-7-8(6-16(2)15-7)4-13-11(18)9-5-14-17(3)10(9)12/h5-6H,4,12H2,1-3H3,(H,13,18)
InChIKeyFQFRWDOZAZPNGG-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.03
Rot. Bonds3

About 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide

5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 112671836) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID112671836
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cnn(C)c1N
InChIInChI=1S/C11H16N6O/c1-7-8(6-16(2)15-7)4-13-11(18)9-5-14-17(3)10(9)12/h5-6H,4,12H2,1-3H3,(H,13,18)
InChIKeyFQFRWDOZAZPNGG-UHFFFAOYSA-N
XLogP-0.03
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 112671835
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 19475026
5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 114957256
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
CID 107075896
4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide
CID 19620425
2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112668155
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide
CID 112671971
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112671966
5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 115330748

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide (CID 112671836) is 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide is Cc1nn(C)cc1CNC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is FQFRWDOZAZPNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-8(6-16(2)15-7)4-13-11(18)9-5-14-17(3)10(9)12/h5-6H,4,12H2,1-3H3,(H,13,18).
What are the key properties of 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide?
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 112671836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).