4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine

C12H12ClN5 — CID 117409154

IUPAC4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc3c(Cl)nn(C)c23)c1N
InChIInChI=1S/C12H12ClN5/c1-17-10-7(9-6-15-18(2)12(9)14)4-3-5-8(10)11(13)16-17/h3-6H,14H2,1-2H3
InChIKeyYVIFBSNDXZOJSI-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.21
Rot. Bonds1

About 4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine

4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine (PubChem CID 117409154) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is 4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine
PubChem CID117409154
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC Name4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc3c(Cl)nn(C)c23)c1N
InChIInChI=1S/C12H12ClN5/c1-17-10-7(9-6-15-18(2)12(9)14)4-3-5-8(10)11(13)16-17/h3-6H,14H2,1-2H3
InChIKeyYVIFBSNDXZOJSI-UHFFFAOYSA-N
XLogP2.21
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine
CID 117369275
4-[3-chloro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117351866
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081
4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376784
[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
CID 117338191
[3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117414013
1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine
CID 117307113
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227
4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319241
4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117401092
1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine
CID 117431613

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine (CID 117409154) is 4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine is Cn1ncc(-c2cccc3c(Cl)nn(C)c23)c1N.
What is the InChIKey of 4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine?
The InChIKey is YVIFBSNDXZOJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5/c1-17-10-7(9-6-15-18(2)12(9)14)4-3-5-8(10)11(13)16-17/h3-6H,14H2,1-2H3.
What are the key properties of 4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine?
4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine has a molecular weight of 261.72 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117409154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).