4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide

C11H16BrN3O2 — CID 19476591

IUPAC4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)NCC1CCCO1
InChIInChI=1S/C11H16BrN3O2/c1-2-15-10(9(12)7-14-15)11(16)13-6-8-4-3-5-17-8/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyOJCLRWGEGNNWDY-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.57
Rot. Bonds4

About 4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide

4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 19476591) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID19476591
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)NCC1CCCO1
InChIInChI=1S/C11H16BrN3O2/c1-2-15-10(9(12)7-14-15)11(16)13-6-8-4-3-5-17-8/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyOJCLRWGEGNNWDY-UHFFFAOYSA-N
XLogP1.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 4167409
4-iodo-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
CID 40553880
4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 132586720
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818036
1-(4-bromo-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanone
CID 114642345
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
CID 104852566
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 91960377
4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 17173841
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
4-bromo-1-methyl-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4768711

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide (CID 19476591) is 4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)NCC1CCCO1.
What is the InChIKey of 4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is OJCLRWGEGNNWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-2-15-10(9(12)7-14-15)11(16)13-6-8-4-3-5-17-8/h7-8H,2-6H2,1H3,(H,13,16).
What are the key properties of 4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 302.17 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19476591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).