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

C12H18N6O — CID 95755153

IUPACN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cc(CN(C)C)[nH]n2)n1
InChIInChI=1S/C12H18N6O/c1-4-18-6-5-10(16-18)12(19)13-11-7-9(14-15-11)8-17(2)3/h5-7H,4,8H2,1-3H3,(H2,13,14,15,19)
InChIKeyYPWFCYVTGVMWOF-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.94
Rot. Bonds5

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

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 95755153) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
PubChem CID95755153
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cc(CN(C)C)[nH]n2)n1
InChIInChI=1S/C12H18N6O/c1-4-18-6-5-10(16-18)12(19)13-11-7-9(14-15-11)8-17(2)3/h5-7H,4,8H2,1-3H3,(H2,13,14,15,19)
InChIKeyYPWFCYVTGVMWOF-UHFFFAOYSA-N
XLogP0.94
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
CID 95752902
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 95755170
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 95755260
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
CID 95755127
N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 48507926
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
N,1-diethylpyrazole-3-carboxamide
CID 19262384
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 95755349
N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide
CID 103862758
N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 841339
4-(dimethylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423237

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide (CID 95755153) is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2cc(CN(C)C)[nH]n2)n1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is YPWFCYVTGVMWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-18-6-5-10(16-18)12(19)13-11-7-9(14-15-11)8-17(2)3/h5-7H,4,8H2,1-3H3,(H2,13,14,15,19).
What are the key properties of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.94, 5 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]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 95755153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).