5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine

C8H8ClN5 — CID 123810553

IUPAC5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine
SMILESNc1n[nH]c(-c2ncccc2Cl)c1N
InChIInChI=1S/C8H8ClN5/c9-4-2-1-3-12-6(4)7-5(10)8(11)14-13-7/h1-3H,10H2,(H3,11,13,14)
InChIKeyQUMYPSYVTXJIMN-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.29
Rot. Bonds1

About 5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine

5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine (PubChem CID 123810553) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine.

Molecular Properties

Compound Name5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine
PubChem CID123810553
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine
SMILESNc1n[nH]c(-c2ncccc2Cl)c1N
InChIInChI=1S/C8H8ClN5/c9-4-2-1-3-12-6(4)7-5(10)8(11)14-13-7/h1-3H,10H2,(H3,11,13,14)
InChIKeyQUMYPSYVTXJIMN-UHFFFAOYSA-N
XLogP1.29
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine?
The IUPAC name of 5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine (CID 123810553) is 5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine.
What is the SMILES notation for 5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine?
The canonical SMILES for 5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine is Nc1n[nH]c(-c2ncccc2Cl)c1N.
What is the InChIKey of 5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine?
The InChIKey is QUMYPSYVTXJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c9-4-2-1-3-12-6(4)7-5(10)8(11)14-13-7/h1-3H,10H2,(H3,11,13,14).
What are the key properties of 5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine?
5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine has a molecular weight of 209.64 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine is sourced from PubChem (CID 123810553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).