N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide

C11H16N6O — CID 95755127

IUPACN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCN(C)Cc1cc(NC(=O)c2ccnn2C)n[nH]1
InChIInChI=1S/C11H16N6O/c1-16(2)7-8-6-10(15-14-8)13-11(18)9-4-5-12-17(9)3/h4-6H,7H2,1-3H3,(H2,13,14,15,18)
InChIKeyBJWXDWUTYCKXKZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.46
Rot. Bonds4

About N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 95755127) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
PubChem CID95755127
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCN(C)Cc1cc(NC(=O)c2ccnn2C)n[nH]1
InChIInChI=1S/C11H16N6O/c1-16(2)7-8-6-10(15-14-8)13-11(18)9-4-5-12-17(9)3/h4-6H,7H2,1-3H3,(H2,13,14,15,18)
InChIKeyBJWXDWUTYCKXKZ-UHFFFAOYSA-N
XLogP0.46
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 95755260
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 95755153
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-methylpyrazole-3-carboxamide
CID 174055169
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95755232
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 95755349
5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
CID 95755086
2-methyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 6468673
5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
CID 95755081
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide
CID 95755256
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 95755102
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 95755104

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide (CID 95755127) is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide is CN(C)Cc1cc(NC(=O)c2ccnn2C)n[nH]1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is BJWXDWUTYCKXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-16(2)7-8-6-10(15-14-8)13-11(18)9-4-5-12-17(9)3/h4-6H,7H2,1-3H3,(H2,13,14,15,18).
What are the key properties of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide?
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 95755127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).