(5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C19H28FN5O — CID 74778724

IUPAC(5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCC1NNC(C(=O)N2CCC3NNC(c4cccc(F)c4)C3C2)C1C
InChIInChI=1S/C19H28FN5O/c1-3-15-11(2)17(23-21-15)19(26)25-8-7-16-14(10-25)18(24-22-16)12-5-4-6-13(20)9-12/h4-6,9,11,14-18,21-24H,3,7-8,10H2,1-2H3
InChIKeyHRXHMRFCOUKEKO-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.08
Rot. Bonds3

About (5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone

(5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 74778724) has the molecular formula C19H28FN5O and a molecular weight of 361.47 g/mol. Its IUPAC name is (5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID74778724
Molecular FormulaC19H28FN5O
Molecular Weight361.47 g/mol
Exact Mass361.23
IUPAC Name(5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCC1NNC(C(=O)N2CCC3NNC(c4cccc(F)c4)C3C2)C1C
InChIInChI=1S/C19H28FN5O/c1-3-15-11(2)17(23-21-15)19(26)25-8-7-16-14(10-25)18(24-22-16)12-5-4-6-13(20)9-12/h4-6,9,11,14-18,21-24H,3,7-8,10H2,1-2H3
InChIKeyHRXHMRFCOUKEKO-UHFFFAOYSA-N
XLogP1.08
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
CID 74809428
(3R,4S)-1-(5-ethyl-4-methylpyrazolidine-3-carbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133124749
[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 78081505
(1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 75258654
(5-ethyl-4-methylpyrazolidin-3-yl)-[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 133118198
1-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 95598407
[2-(3-fluorophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023626
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412312
[3-(1,3-benzodioxol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(1-ethylpyrazol-4-yl)methanone
CID 74810636
[3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 134067503
[3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone
CID 74809267
2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 74826160

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 74778724) is (5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone is CCC1NNC(C(=O)N2CCC3NNC(c4cccc(F)c4)C3C2)C1C.
What is the InChIKey of (5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is HRXHMRFCOUKEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5O/c1-3-15-11(2)17(23-21-15)19(26)25-8-7-16-14(10-25)18(24-22-16)12-5-4-6-13(20)9-12/h4-6,9,11,14-18,21-24H,3,7-8,10H2,1-2H3.
What are the key properties of (5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 361.47 g/mol, XLogP of 1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 74778724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).