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

C12H18N6O2 — CID 95755260

IUPACN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)Nc2cc(CN(C)C)[nH]n2)nn1C
InChIInChI=1S/C12H18N6O2/c1-17(2)7-8-5-10(15-14-8)13-12(19)9-6-11(20-4)18(3)16-9/h5-6H,7H2,1-4H3,(H2,13,14,15,19)
InChIKeyQNHDVMQNVFLXQF-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.47
Rot. Bonds5

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

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide (PubChem CID 95755260) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
PubChem CID95755260
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)Nc2cc(CN(C)C)[nH]n2)nn1C
InChIInChI=1S/C12H18N6O2/c1-17(2)7-8-5-10(15-14-8)13-12(19)9-6-11(20-4)18(3)16-9/h5-6H,7H2,1-4H3,(H2,13,14,15,19)
InChIKeyQNHDVMQNVFLXQF-UHFFFAOYSA-N
XLogP0.47
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 95755153
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
CID 95755127
N-[4-(chloromethyl)phenyl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 114255172
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 95755102
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 95755170
3-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 114255287
N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide
CID 103862758
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]-2-(2-methylphenoxy)acetamide
CID 95755104
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 95755349
N-[2-[[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 95755294
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide
CID 110281589

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide (CID 95755260) is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide is COc1cc(C(=O)Nc2cc(CN(C)C)[nH]n2)nn1C.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide?
The InChIKey is QNHDVMQNVFLXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-17(2)7-8-5-10(15-14-8)13-12(19)9-6-11(20-4)18(3)16-9/h5-6H,7H2,1-4H3,(H2,13,14,15,19).
What are the key properties of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide?
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 95755260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).