3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C14H14ClFN2 — CID 117063312

IUPAC3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCc1nn2c(c1-c1ccc(Cl)cc1F)CCCC2
InChIInChI=1S/C14H14ClFN2/c1-9-14(11-6-5-10(15)8-12(11)16)13-4-2-3-7-18(13)17-9/h5-6,8H,2-4,7H2,1H3
InChIKeyUFAZCNJJVYDPAH-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.99
Rot. Bonds1

About 3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 117063312) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID117063312
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCc1nn2c(c1-c1ccc(Cl)cc1F)CCCC2
InChIInChI=1S/C14H14ClFN2/c1-9-14(11-6-5-10(15)8-12(11)16)13-4-2-3-7-18(13)17-9/h5-6,8H,2-4,7H2,1H3
InChIKeyUFAZCNJJVYDPAH-UHFFFAOYSA-N
XLogP3.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol
CID 15456859
3-bromo-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 90898270
1-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenyl]ethanone
CID 22625616
3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 18684541
2-[2-(2,4-difluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
CID 122589962
1-(4-chloro-2,6-difluorophenyl)pyrrolidine
CID 168512042
4-(4-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 170457601
8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine
CID 122589991
3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 134364431
1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 118684318
[3-(4-chloro-2-fluorophenyl)-1-methylpyrazol-4-yl]boronic acid
CID 71017394
3-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,2,4-triazole
CID 115394043

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 117063312) is 3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is Cc1nn2c(c1-c1ccc(Cl)cc1F)CCCC2.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is UFAZCNJJVYDPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-9-14(11-6-5-10(15)8-12(11)16)13-4-2-3-7-18(13)17-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 264.73 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 117063312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).