3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride

C9H10BrClN4 — CID 142766793

IUPAC3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride
SMILESCNc1cn(-c2cccnc2)nc1Br.Cl
InChIInChI=1S/C9H9BrN4.ClH/c1-11-8-6-14(13-9(8)10)7-3-2-4-12-5-7;/h2-6,11H,1H3;1H
InChIKeyRYCHKDRBLUZEGD-UHFFFAOYSA-N
MW289.56 g/mol
LogP2.49
Rot. Bonds2

About 3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride

3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride (PubChem CID 142766793) has the molecular formula C9H10BrClN4 and a molecular weight of 289.56 g/mol. Its IUPAC name is 3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride
PubChem CID142766793
Molecular FormulaC9H10BrClN4
Molecular Weight289.56 g/mol
Exact Mass287.98
IUPAC Name3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride
SMILESCNc1cn(-c2cccnc2)nc1Br.Cl
InChIInChI=1S/C9H9BrN4.ClH/c1-11-8-6-14(13-9(8)10)7-3-2-4-12-5-7;/h2-6,11H,1H3;1H
InChIKeyRYCHKDRBLUZEGD-UHFFFAOYSA-N
XLogP2.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
N-(cyclopropylmethyl)-3-methyl-1-pyridin-3-ylpyrazol-4-amine
CID 67499535
3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride
CID 86705832
ethane;1-pyridin-3-ylpyrazol-3-amine
CID 145010559
1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359810
3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine
CID 67499762
3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine
CID 158876961
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
CID 90359899
3-(4-bromoimidazol-1-yl)pyridine
CID 66520793
3-(3-chloropyrazol-1-yl)pyridine;hydrochloride
CID 118023472
trans-(1S,2R)-N-(3-bromo-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfanylcyclopropane-1-carboxamide
CID 90359886
4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide
CID 86700603

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride?
The IUPAC name of 3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride (CID 142766793) is 3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride is CNc1cn(-c2cccnc2)nc1Br.Cl.
What is the InChIKey of 3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride?
The InChIKey is RYCHKDRBLUZEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4.ClH/c1-11-8-6-14(13-9(8)10)7-3-2-4-12-5-7;/h2-6,11H,1H3;1H.
What are the key properties of 3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride?
3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride has a molecular weight of 289.56 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 142766793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).