[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C19H21FN4OS — CID 119648559

IUPAC[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C19H21FN4OS/c1-12-16-10-17(18(25)23-9-3-4-15(23)11-21-2)26-19(16)24(22-12)14-7-5-13(20)6-8-14/h5-8,10,15,21H,3-4,9,11H2,1-2H3
InChIKeyGCLXHKPNKPYWQP-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.36
Rot. Bonds4

About [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119648559) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119648559
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C19H21FN4OS/c1-12-16-10-17(18(25)23-9-3-4-15(23)11-21-2)26-19(16)24(22-12)14-7-5-13(20)6-8-14/h5-8,10,15,21H,3-4,9,11H2,1-2H3
InChIKeyGCLXHKPNKPYWQP-UHFFFAOYSA-N
XLogP3.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119434439
(3R)-4-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-methyl-1,4-diazepan-2-one
CID 124620013
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119650670
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone
CID 4807692
1-[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355588
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
CID 119516664
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 18277666
methyl (2S)-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 95139926
1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2373019
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 75902451
1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 38212810

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119648559) is [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCCN1C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1.
What is the InChIKey of [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GCLXHKPNKPYWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-12-16-10-17(18(25)23-9-3-4-15(23)11-21-2)26-19(16)24(22-12)14-7-5-13(20)6-8-14/h5-8,10,15,21H,3-4,9,11H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119648559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).