N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide

C11H16N6O — CID 102801083

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1nn(C)cc1CN
InChIInChI=1S/C11H16N6O/c1-7-9(6-17(3)14-7)11(18)13-10-8(4-12)5-16(2)15-10/h5-6H,4,12H2,1-3H3,(H,13,15,18)
InChIKeyGZROWPRUGPCQJW-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.17
Rot. Bonds3

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 102801083) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID102801083
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1nn(C)cc1CN
InChIInChI=1S/C11H16N6O/c1-7-9(6-17(3)14-7)11(18)13-10-8(4-12)5-16(2)15-10/h5-6H,4,12H2,1-3H3,(H,13,15,18)
InChIKeyGZROWPRUGPCQJW-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide
CID 102921219
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide
CID 104592680
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 104592766
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylimidazole-4-carboxamide
CID 103510244
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide
CID 104592785
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 104592838
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115913
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 114040762
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 104592742
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 104592677
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 104592792
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide
CID 113430305

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide (CID 102801083) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1nn(C)cc1CN.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is GZROWPRUGPCQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-9(6-17(3)14-7)11(18)13-10-8(4-12)5-16(2)15-10/h5-6H,4,12H2,1-3H3,(H,13,15,18).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102801083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).