2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

C12H17N5O — CID 19475319

IUPAC2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(CNC(=O)c2ccnn2CC)cn1
InChIInChI=1S/C12H17N5O/c1-3-16-9-10(8-15-16)7-13-12(18)11-5-6-14-17(11)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,18)
InChIKeyOXMIDTNOMATHFK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.05
Rot. Bonds5

About 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19475319) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID19475319
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(CNC(=O)c2ccnn2CC)cn1
InChIInChI=1S/C12H17N5O/c1-3-16-9-10(8-15-16)7-13-12(18)11-5-6-14-17(11)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,18)
InChIKeyOXMIDTNOMATHFK-UHFFFAOYSA-N
XLogP1.05
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
CID 35535097
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
CID 102548374
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474824
N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261948
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
N-[(1-ethylpyrazol-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414076
2-[[(2-ethylpyrazole-3-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 131963749
N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide
CID 53184912
4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290632
3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19622220

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 19475319) is 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is CCn1cc(CNC(=O)c2ccnn2CC)cn1.
What is the InChIKey of 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is OXMIDTNOMATHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-16-9-10(8-15-16)7-13-12(18)11-5-6-14-17(11)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,18).
What are the key properties of 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19475319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).