4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide

C15H27BrN4O — CID 4771153

IUPAC4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)CN(C(C)C)C(C)C)c1Br
InChIInChI=1S/C15H27BrN4O/c1-9(2)20(10(3)4)8-11(5)17-15(21)14-13(16)12(6)18-19(14)7/h9-11H,8H2,1-7H3,(H,17,21)
InChIKeyWRLIEPORFZYSQA-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.73
Rot. Bonds6

About 4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide

4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 4771153) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is 4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID4771153
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)CN(C(C)C)C(C)C)c1Br
InChIInChI=1S/C15H27BrN4O/c1-9(2)20(10(3)4)8-11(5)17-15(21)14-13(16)12(6)18-19(14)7/h9-11H,8H2,1-7H3,(H,17,21)
InChIKeyWRLIEPORFZYSQA-UHFFFAOYSA-N
XLogP2.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 17020877
4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480388
ethyl (2R)-2-[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]-3-sulfanylpropanoate
CID 19480403
4-[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]butanoyl chloride
CID 19480401
4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide
CID 19480353
1,3-dimethyl-N-[(2S)-1-(4-methylphenyl)sulfanylpropan-2-yl]-4-nitropyrazole-5-carboxamide
CID 129399358
4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 66123978
4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480556
4-amino-N-[1-(dimethylamino)propan-2-yl]-1-ethyl-3-methylpyrazole-5-carboxamide
CID 82944743
4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124207
4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19478610
4-bromo-1,3-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
CID 19480499

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide (CID 4771153) is 4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC(C)CN(C(C)C)C(C)C)c1Br.
What is the InChIKey of 4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is WRLIEPORFZYSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4O/c1-9(2)20(10(3)4)8-11(5)17-15(21)14-13(16)12(6)18-19(14)7/h9-11H,8H2,1-7H3,(H,17,21).
What are the key properties of 4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 4771153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).