5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine

C13H13ClN4 — CID 163715998

IUPAC5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine
SMILESCNc1c(-c2ccn(C)n2)cnc2c1C(Cl)=CC2
InChIInChI=1S/C13H13ClN4/c1-15-13-8(10-5-6-18(2)17-10)7-16-11-4-3-9(14)12(11)13/h3,5-7H,4H2,1-2H3,(H,15,16)
InChIKeyKNJOUEVTJUQTME-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.66
Rot. Bonds2

About 5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine

5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine (PubChem CID 163715998) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine
PubChem CID163715998
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine
SMILESCNc1c(-c2ccn(C)n2)cnc2c1C(Cl)=CC2
InChIInChI=1S/C13H13ClN4/c1-15-13-8(10-5-6-18(2)17-10)7-16-11-4-3-9(14)12(11)13/h3,5-7H,4H2,1-2H3,(H,15,16)
InChIKeyKNJOUEVTJUQTME-UHFFFAOYSA-N
XLogP2.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine
CID 178122218
5-chloro-2-(1-methylpyrazol-3-yl)pyridine
CID 162761078
3-(2,6-dichlorophenyl)-1-methylpyrazole
CID 173078305
N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline
CID 176940677
4-N-[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]-1-N-(2-fluoroethyl)cyclohexane-1,4-diamine
CID 175837930
3-(4-chloro-2-methylphenyl)-1-methylpyrazole
CID 176555071
2-(1-methylpyrazol-3-yl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384686
2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 65197881
5-bromo-4-chloro-2-(1-methylpyrazol-3-yl)pyrimidine
CID 66291840
3-(3-chlorothiophen-2-yl)-1-methylpyrazole
CID 142305317
5-(chloromethyl)-2-(1-methylpyrazol-3-yl)pyrimidine
CID 65198161
2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine
CID 131801139

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine?
The IUPAC name of 5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine (CID 163715998) is 5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine.
What is the SMILES notation for 5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine?
The canonical SMILES for 5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine is CNc1c(-c2ccn(C)n2)cnc2c1C(Cl)=CC2.
What is the InChIKey of 5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine?
The InChIKey is KNJOUEVTJUQTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4/c1-15-13-8(10-5-6-18(2)17-10)7-16-11-4-3-9(14)12(11)13/h3,5-7H,4H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine?
5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine has a molecular weight of 260.73 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine is sourced from PubChem (CID 163715998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).