(1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C18H18FN5O — CID 53185495

IUPAC(1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCn1ccc(C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)n1
InChIInChI=1S/C18H18FN5O/c1-2-24-10-8-16(22-24)18(25)23-9-7-15-14(11-23)17(21-20-15)12-3-5-13(19)6-4-12/h3-6,8,10H,2,7,9,11H2,1H3,(H,20,21)
InChIKeyCYPQLHCDXGMIKD-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.63
Rot. Bonds3

About (1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

(1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 53185495) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID53185495
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name(1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCn1ccc(C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)n1
InChIInChI=1S/C18H18FN5O/c1-2-24-10-8-16(22-24)18(25)23-9-7-15-14(11-23)17(21-20-15)12-3-5-13(19)6-4-12/h3-6,8,10H,2,7,9,11H2,1H3,(H,20,21)
InChIKeyCYPQLHCDXGMIKD-UHFFFAOYSA-N
XLogP2.63
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone
CID 46989048
[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 31161481
(2-chloro-4-pyridinyl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46999373
(1-ethylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279210
[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 53185513
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 108726007
[1-(2-aminoethyl)triazol-4-yl]-[3-(4-propylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 31126039
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2,6-dimethoxyphenyl)methanone
CID 108750140
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 56739225
(2-chlorophenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750151
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108750131
(4S)-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 29153945

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 53185495) is (1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is CCn1ccc(C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is CYPQLHCDXGMIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-2-24-10-8-16(22-24)18(25)23-9-7-15-14(11-23)17(21-20-15)12-3-5-13(19)6-4-12/h3-6,8,10H,2,7,9,11H2,1H3,(H,20,21).
What are the key properties of (1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 339.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 53185495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).