N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide

C16H17N5O — CID 19395795

IUPACN-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)cn1
InChIInChI=1S/C16H17N5O/c1-2-20-11-14(8-17-20)16(22)19-15-9-18-21(12-15)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,19,22)
InChIKeyDUMLBQOCADXLDW-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.40
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide

N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide (PubChem CID 19395795) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
PubChem CID19395795
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)cn1
InChIInChI=1S/C16H17N5O/c1-2-20-11-14(8-17-20)16(22)19-15-9-18-21(12-15)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,19,22)
InChIKeyDUMLBQOCADXLDW-UHFFFAOYSA-N
XLogP2.40
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
CID 60526938
1-(1-benzylpyrazol-4-yl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445863
1-benzylpyrazole-4-carbohydrazide
CID 83386286
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
3-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471099
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19340083
1-ethyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 71921815

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide (CID 19395795) is N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)cn1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is DUMLBQOCADXLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-20-11-14(8-17-20)16(22)19-15-9-18-21(12-15)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,19,22).
What are the key properties of N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide?
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 19395795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).