4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine

C11H10ClN5 — CID 117372451

IUPAC4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine
SMILESCn1nc(Cl)c2ccc(-c3cn[nH]c3N)cc21
InChIInChI=1S/C11H10ClN5/c1-17-9-4-6(8-5-14-15-11(8)13)2-3-7(9)10(12)16-17/h2-5H,1H3,(H3,13,14,15)
InChIKeyCMKQCIYMAPUPHV-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.20
Rot. Bonds1

About 4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine

4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine (PubChem CID 117372451) has the molecular formula C11H10ClN5 and a molecular weight of 247.69 g/mol. Its IUPAC name is 4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine
PubChem CID117372451
Molecular FormulaC11H10ClN5
Molecular Weight247.69 g/mol
Exact Mass247.06
IUPAC Name4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine
SMILESCn1nc(Cl)c2ccc(-c3cn[nH]c3N)cc21
InChIInChI=1S/C11H10ClN5/c1-17-9-4-6(8-5-14-15-11(8)13)2-3-7(9)10(12)16-17/h2-5H,1H3,(H3,13,14,15)
InChIKeyCMKQCIYMAPUPHV-UHFFFAOYSA-N
XLogP2.20
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine (CID 117372451) is 4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine is Cn1nc(Cl)c2ccc(-c3cn[nH]c3N)cc21.
What is the InChIKey of 4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine?
The InChIKey is CMKQCIYMAPUPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5/c1-17-9-4-6(8-5-14-15-11(8)13)2-3-7(9)10(12)16-17/h2-5H,1H3,(H3,13,14,15).
What are the key properties of 4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine?
4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine has a molecular weight of 247.69 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117372451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).