3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride

C8H9Cl3N4 — CID 86705832

IUPAC3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C8H7ClN4.2ClH/c9-8-7(10)5-13(12-8)6-2-1-3-11-4-6;;/h1-5H,10H2;2*1H
InChIKeyPEYGQWZLCPQOCJ-UHFFFAOYSA-N
MW267.55 g/mol
LogP2.35
Rot. Bonds1

About 3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride

3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride (PubChem CID 86705832) has the molecular formula C8H9Cl3N4 and a molecular weight of 267.55 g/mol. Its IUPAC name is 3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride
PubChem CID86705832
Molecular FormulaC8H9Cl3N4
Molecular Weight267.55 g/mol
Exact Mass265.99
IUPAC Name3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C8H7ClN4.2ClH/c9-8-7(10)5-13(12-8)6-2-1-3-11-4-6;;/h1-5H,10H2;2*1H
InChIKeyPEYGQWZLCPQOCJ-UHFFFAOYSA-N
XLogP2.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.55
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoroethyl)-1-pyridin-3-ylpyrazol-4-amine
CID 174747041
3-(3-chloropyrazol-1-yl)pyridine;hydrochloride
CID 118023472
3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine
CID 67499762
N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-sulfanylpropanimidamide
CID 123946612
1-pyridin-3-ylimidazol-4-amine
CID 66520794
2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide
CID 170322459
ethane;1-pyridin-3-ylpyrazol-3-amine
CID 145010559
4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide
CID 176705554
4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide
CID 86700603
N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanimidamide;methane
CID 158784856
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
CID 90359899
3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride
CID 142766793

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride?
The IUPAC name of 3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride (CID 86705832) is 3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for 3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride is Cl.Cl.Nc1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of 3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride?
The InChIKey is PEYGQWZLCPQOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4.2ClH/c9-8-7(10)5-13(12-8)6-2-1-3-11-4-6;;/h1-5H,10H2;2*1H.
What are the key properties of 3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride?
3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride has a molecular weight of 267.55 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 86705832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).