1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide

C11H17N7O — CID 118790638

IUPAC1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NCCn2cnnn2)c1C
InChIInChI=1S/C11H17N7O/c1-4-18-9(3)10(8(2)14-18)11(19)12-5-6-17-7-13-15-16-17/h7H,4-6H2,1-3H3,(H,12,19)
InChIKeyDNJICUXYWGVGEB-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.06
Rot. Bonds5

About 1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide

1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 118790638) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide
PubChem CID118790638
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NCCn2cnnn2)c1C
InChIInChI=1S/C11H17N7O/c1-4-18-9(3)10(8(2)14-18)11(19)12-5-6-17-7-13-15-16-17/h7H,4-6H2,1-3H3,(H,12,19)
InChIKeyDNJICUXYWGVGEB-UHFFFAOYSA-N
XLogP-0.06
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 19472103
1-ethyl-3,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19472186
3-bromo-6-fluoro-2-methyl-N-[2-(tetrazol-1-yl)ethyl]benzamide
CID 154783159
5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245798
1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide
CID 110279442
7-[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350682
2-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119223425
1-ethyl-3,5-dimethyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 19472242
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 146131311
3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid
CID 119219348
1-ethyl-3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 35335785
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 115319552

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide (CID 118790638) is 1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide is CCn1nc(C)c(C(=O)NCCn2cnnn2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is DNJICUXYWGVGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-4-18-9(3)10(8(2)14-18)11(19)12-5-6-17-7-13-15-16-17/h7H,4-6H2,1-3H3,(H,12,19).
What are the key properties of 1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide?
1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 118790638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).