8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine

C12H10ClN5 — CID 146469814

IUPAC8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine
SMILESCn1cc(-c2cc(Cl)c3nnc(N)cc3c2)cn1
InChIInChI=1S/C12H10ClN5/c1-18-6-9(5-15-18)7-2-8-4-11(14)16-17-12(8)10(13)3-7/h2-6H,1H3,(H2,14,16)
InChIKeyKEBODGOPGRBDPQ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.27
Rot. Bonds1

About 8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine

8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine (PubChem CID 146469814) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine.

Molecular Properties

Compound Name8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine
PubChem CID146469814
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine
SMILESCn1cc(-c2cc(Cl)c3nnc(N)cc3c2)cn1
InChIInChI=1S/C12H10ClN5/c1-18-6-9(5-15-18)7-2-8-4-11(14)16-17-12(8)10(13)3-7/h2-6H,1H3,(H2,14,16)
InChIKeyKEBODGOPGRBDPQ-UHFFFAOYSA-N
XLogP2.27
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 168665646
8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine
CID 146469810
N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 175178918
8-chloro-6-(3-methyl-4-pyridinyl)cinnolin-3-amine
CID 146469796
8-chloro-6-cyclopropylcinnolin-3-amine
CID 146469795
4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol
CID 136771954
3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid
CID 175186627
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
3-(difluoromethyl)-5-(1-methylpyrazol-4-yl)aniline
CID 171394100
6-chloro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
CID 155403549
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
CID 42624129

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine?
The IUPAC name of 8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine (CID 146469814) is 8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine.
What is the SMILES notation for 8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine?
The canonical SMILES for 8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine is Cn1cc(-c2cc(Cl)c3nnc(N)cc3c2)cn1.
What is the InChIKey of 8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine?
The InChIKey is KEBODGOPGRBDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c1-18-6-9(5-15-18)7-2-8-4-11(14)16-17-12(8)10(13)3-7/h2-6H,1H3,(H2,14,16).
What are the key properties of 8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine?
8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine has a molecular weight of 259.70 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine is sourced from PubChem (CID 146469814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).