4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide

C11H16BrN3O2 — CID 136589319

IUPAC4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)N[C@@H]2CCCOC2)nn1C
InChIInChI=1S/C11H16BrN3O2/c1-7-9(12)10(14-15(7)2)11(16)13-8-4-3-5-17-6-8/h8H,3-6H2,1-2H3,(H,13,16)/t8-/m1/s1
InChIKeyGSDUMNWUQRSEGP-MRVPVSSYSA-N
MW302.17 g/mol
LogP1.40
Rot. Bonds2

About 4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide

4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide (PubChem CID 136589319) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide
PubChem CID136589319
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)N[C@@H]2CCCOC2)nn1C
InChIInChI=1S/C11H16BrN3O2/c1-7-9(12)10(14-15(7)2)11(16)13-8-4-3-5-17-6-8/h8H,3-6H2,1-2H3,(H,13,16)/t8-/m1/s1
InChIKeyGSDUMNWUQRSEGP-MRVPVSSYSA-N
XLogP1.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1,5-dimethyl-N-[1-(morpholin-4-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 4771563
(4-bromo-5-methyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47403669
(4-bromo-5-methyl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 47453390
[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl](morpholin-4-yl)methanone
CID 4767766
4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 4768378
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19575485
4-bromo-N-cyclopropyl-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 19577803
4-bromo-1,5-dimethyl-N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 19578021
4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4768998
4-Bromo-1,5-dimethylpyrazol-3-yl morpholin-4-yl ketone
CID 19579891
[4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-YL](2,6-dimethylmorpholino)methanone
CID 4768628

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide (CID 136589319) is 4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide is Cc1c(Br)c(C(=O)N[C@@H]2CCCOC2)nn1C.
What is the InChIKey of 4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide?
The InChIKey is GSDUMNWUQRSEGP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-7-9(12)10(14-15(7)2)11(16)13-8-4-3-5-17-6-8/h8H,3-6H2,1-2H3,(H,13,16)/t8-/m1/s1.
What are the key properties of 4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide?
4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide has a molecular weight of 302.17 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 136589319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).