2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride

C18H17Cl2FN4 — CID 170327810

IUPAC2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
SMILESCC1NCCn2nc(-c3ccc(Cl)cc3F)c(-c3ccncc3)c21.[Cl-].[H+]
InChIInChI=1S/C18H16ClFN4.ClH/c1-11-18-16(12-4-6-21-7-5-12)17(23-24(18)9-8-22-11)14-3-2-13(19)10-15(14)20;/h2-7,10-11,22H,8-9H2,1H3;1H
InChIKeySUYMWZDPWUSCNO-UHFFFAOYSA-N
MW379.27 g/mol
LogP1.19
Rot. Bonds2

About 2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride

2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride (PubChem CID 170327810) has the molecular formula C18H17Cl2FN4 and a molecular weight of 379.27 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
PubChem CID170327810
Molecular FormulaC18H17Cl2FN4
Molecular Weight379.27 g/mol
Exact Mass378.08
IUPAC Name2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
SMILESCC1NCCn2nc(-c3ccc(Cl)cc3F)c(-c3ccncc3)c21.[Cl-].[H+]
InChIInChI=1S/C18H16ClFN4.ClH/c1-11-18-16(12-4-6-21-7-5-12)17(23-24(18)9-8-22-11)14-3-2-13(19)10-15(14)20;/h2-7,10-11,22H,8-9H2,1H3;1H
InChIKeySUYMWZDPWUSCNO-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-2-(4-chloro-2-fluorophenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
CID 170327971
(E)-1-[2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-(dimethylamino)but-2-en-1-one
CID 170327809
2-(5-chloro-2-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327928
2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
CID 170328157
2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 174144909
2-(2-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327738
tert-butyl 2-(4-chloro-2-fluorophenyl)-6-ethyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 177002038
2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170328201
1-[2-(4-chloro-2-fluorophenyl)-7-phenyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 177001879
3-(4-chloro-2-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114028152
2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327857
5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
CID 158146883

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride (CID 170327810) is 2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride is CC1NCCn2nc(-c3ccc(Cl)cc3F)c(-c3ccncc3)c21.[Cl-].[H+].
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride?
The InChIKey is SUYMWZDPWUSCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4.ClH/c1-11-18-16(12-4-6-21-7-5-12)17(23-24(18)9-8-22-11)14-3-2-13(19)10-15(14)20;/h2-7,10-11,22H,8-9H2,1H3;1H.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride?
2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride has a molecular weight of 379.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride is sourced from PubChem (CID 170327810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).