4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide

C11H18BrN5O — CID 4768990

IUPAC4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NN2CCN(C)CC2)nn1C
InChIInChI=1S/C11H18BrN5O/c1-8-9(12)10(13-16(8)3)11(18)14-17-6-4-15(2)5-7-17/h4-7H2,1-3H3,(H,14,18)
InChIKeyVBMUSTCQJHUXLZ-UHFFFAOYSA-N
MW316.20 g/mol
LogP0.38
Rot. Bonds2

About 4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide

4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide (PubChem CID 4768990) has the molecular formula C11H18BrN5O and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide
PubChem CID4768990
Molecular FormulaC11H18BrN5O
Molecular Weight316.20 g/mol
Exact Mass315.07
IUPAC Name4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NN2CCN(C)CC2)nn1C
InChIInChI=1S/C11H18BrN5O/c1-8-9(12)10(13-16(8)3)11(18)14-17-6-4-15(2)5-7-17/h4-7H2,1-3H3,(H,14,18)
InChIKeyVBMUSTCQJHUXLZ-UHFFFAOYSA-N
XLogP0.38
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 843437
4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbohydrazide
CID 7018468
4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 7019432
2-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]octahydropyrrolo[1,2-a]pyrazine
CID 4155287
4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 4768378
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-5-methyl-1H-pyrazol-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 51124653
[4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-YL](4-methylpiperazino)methanone
CID 4767862

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide (CID 4768990) is 4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide is Cc1c(Br)c(C(=O)NN2CCN(C)CC2)nn1C.
What is the InChIKey of 4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide?
The InChIKey is VBMUSTCQJHUXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5O/c1-8-9(12)10(13-16(8)3)11(18)14-17-6-4-15(2)5-7-17/h4-7H2,1-3H3,(H,14,18).
What are the key properties of 4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide?
4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide has a molecular weight of 316.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 4768990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).