5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine

C11H14ClN5 — CID 114251516

IUPAC5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine
SMILESCC(C)n1ccc(Nc2ncc(Cl)cc2N)n1
InChIInChI=1S/C11H14ClN5/c1-7(2)17-4-3-10(16-17)15-11-9(13)5-8(12)6-14-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyHSYXPZVZWUTZNS-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.84
Rot. Bonds3

About 5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine

5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine (PubChem CID 114251516) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine
PubChem CID114251516
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine
SMILESCC(C)n1ccc(Nc2ncc(Cl)cc2N)n1
InChIInChI=1S/C11H14ClN5/c1-7(2)17-4-3-10(16-17)15-11-9(13)5-8(12)6-14-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyHSYXPZVZWUTZNS-UHFFFAOYSA-N
XLogP2.84
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 114250731
5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 114250932
6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251632
4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine
CID 130496011
6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine
CID 114251639
6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251640
5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114250770
6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114250773
5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine
CID 82059569
5-chloro-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 79021710
5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 79021909
5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82815662

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine?
The IUPAC name of 5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine (CID 114251516) is 5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine?
The canonical SMILES for 5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine is CC(C)n1ccc(Nc2ncc(Cl)cc2N)n1.
What is the InChIKey of 5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine?
The InChIKey is HSYXPZVZWUTZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7(2)17-4-3-10(16-17)15-11-9(13)5-8(12)6-14-11/h3-7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine?
5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine has a molecular weight of 251.72 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine is sourced from PubChem (CID 114251516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).