4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide

C12H20BrN3O — CID 4768378

IUPAC4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)N(C(C)C)C(C)C)nn1C
InChIInChI=1S/C12H20BrN3O/c1-7(2)16(8(3)4)12(17)11-10(13)9(5)15(6)14-11/h7-8H,1-6H3
InChIKeyUCKBVIGYAUELMG-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.75
Rot. Bonds3

About 4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide

4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide (PubChem CID 4768378) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide
PubChem CID4768378
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)N(C(C)C)C(C)C)nn1C
InChIInChI=1S/C12H20BrN3O/c1-7(2)16(8(3)4)12(17)11-10(13)9(5)15(6)14-11/h7-8H,1-6H3
InChIKeyUCKBVIGYAUELMG-UHFFFAOYSA-N
XLogP2.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-bromo-1,5-dimethylpyrazol-3-yl)methanone
CID 4431001
(4-bromo-2,5-dimethylpyrazol-3-yl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 5053806
4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 843437
[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-methyl-3-propyl-1H-pyrazole-5-carboxamide
CID 11601224
2-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]octahydropyrrolo[1,2-a]pyrazine
CID 4155287
4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide
CID 15766811
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-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide
CID 136589319

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide (CID 4768378) is 4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide is Cc1c(Br)c(C(=O)N(C(C)C)C(C)C)nn1C.
What is the InChIKey of 4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide?
The InChIKey is UCKBVIGYAUELMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-7(2)16(8(3)4)12(17)11-10(13)9(5)15(6)14-11/h7-8H,1-6H3.
What are the key properties of 4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide?
4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide has a molecular weight of 302.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 4768378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).