1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine

C10H11BrN4 — CID 104777827

IUPAC1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(-c2ccncc2Br)c(C)c1N
InChIInChI=1S/C10H11BrN4/c1-6-10(12)7(2)15(14-6)9-3-4-13-5-8(9)11/h3-5H,12H2,1-2H3
InChIKeyKYCFAOKWEWXDNG-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.23
Rot. Bonds1

About 1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine

1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine (PubChem CID 104777827) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine
PubChem CID104777827
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(-c2ccncc2Br)c(C)c1N
InChIInChI=1S/C10H11BrN4/c1-6-10(12)7(2)15(14-6)9-3-4-13-5-8(9)11/h3-5H,12H2,1-2H3
InChIKeyKYCFAOKWEWXDNG-UHFFFAOYSA-N
XLogP2.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine
CID 104778675
1-(3-fluoro-4-pyridinyl)-3,5-dimethylpyrazol-4-amine
CID 104738895
3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine
CID 104778676
4-(3,4,5-trimethylpyrazol-1-yl)pyridin-3-amine
CID 61224963
1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine
CID 39365314
4-bromo-1-(3-bromo-4-pyridinyl)pyrazol-3-amine
CID 104777834
3-bromo-4-(3-methyl-1,2,4-triazol-4-yl)pyridine
CID 90199424
3-bromo-4-(3-methyl-1,2,4-triazol-1-yl)pyridine
CID 166607440
1-[4-bromo-2-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-amine
CID 65484801
1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole
CID 104778657
6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine
CID 106948537
1-(2-bromophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 61394887

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine (CID 104777827) is 1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine is Cc1nn(-c2ccncc2Br)c(C)c1N.
What is the InChIKey of 1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is KYCFAOKWEWXDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-6-10(12)7(2)15(14-6)9-3-4-13-5-8(9)11/h3-5H,12H2,1-2H3.
What are the key properties of 1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine?
1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 267.13 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 104777827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).