1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine

C9H9BrN4 — CID 106876391

IUPAC1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine
SMILESCc1ccnc(-n2cc(N)cn2)c1Br
InChIInChI=1S/C9H9BrN4/c1-6-2-3-12-9(8(6)10)14-5-7(11)4-13-14/h2-5H,11H2,1H3
InChIKeyMFRKVHJTPCBDKQ-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.92
Rot. Bonds1

About 1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine

1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine (PubChem CID 106876391) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine
PubChem CID106876391
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine
SMILESCc1ccnc(-n2cc(N)cn2)c1Br
InChIInChI=1S/C9H9BrN4/c1-6-2-3-12-9(8(6)10)14-5-7(11)4-13-14/h2-5H,11H2,1H3
InChIKeyMFRKVHJTPCBDKQ-UHFFFAOYSA-N
XLogP1.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide
CID 106877651
1-(3-chloro-2-pyridinyl)pyrazol-4-amine
CID 61175251
1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 106877646
1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-amine
CID 106879157
6-(4-bromopyrazol-1-yl)-5-methylpyridin-3-amine
CID 62476407
1-(2-chloropyrimidin-4-yl)pyrazol-4-amine
CID 77230487
1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol
CID 106876353
5-bromo-4-methyl-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
CID 104507188
3-bromo-2-(4-chloropiperidin-1-yl)-4-methylpyridine
CID 106878850
[1-(3-methyl-2-pyridinyl)pyrazol-4-yl]methanamine
CID 82504471
1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 106876604
1-(3-bromophenyl)pyrazol-4-amine
CID 43542774

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine?
The IUPAC name of 1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine (CID 106876391) is 1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine?
The canonical SMILES for 1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine is Cc1ccnc(-n2cc(N)cn2)c1Br.
What is the InChIKey of 1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine?
The InChIKey is MFRKVHJTPCBDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-6-2-3-12-9(8(6)10)14-5-7(11)4-13-14/h2-5H,11H2,1H3.
What are the key properties of 1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine?
1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine has a molecular weight of 253.10 g/mol, XLogP of 1.92, 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-methyl-2-pyridinyl)pyrazol-4-amine is sourced from PubChem (CID 106876391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).