N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide

C17H21FN4OS — CID 78083937

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)C1CNNC1c1cccc(F)c1
InChIInChI=1S/C17H21FN4OS/c1-3-14-15(24-10(2)21-14)9-19-17(23)13-8-20-22-16(13)11-5-4-6-12(18)7-11/h4-7,13,16,20,22H,3,8-9H2,1-2H3,(H,19,23)
InChIKeyLIEDBRCSWBYZJV-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.23
Rot. Bonds5

About N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide (PubChem CID 78083937) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide
PubChem CID78083937
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)C1CNNC1c1cccc(F)c1
InChIInChI=1S/C17H21FN4OS/c1-3-14-15(24-10(2)21-14)9-19-17(23)13-8-20-22-16(13)11-5-4-6-12(18)7-11/h4-7,13,16,20,22H,3,8-9H2,1-2H3,(H,19,23)
InChIKeyLIEDBRCSWBYZJV-UHFFFAOYSA-N
XLogP2.23
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide
CID 134067181
N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 134059626
(1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide
CID 155503945
3-[[(2S,4S)-4-fluoro-1-[3-(3-fluorophenyl)pyrazolidine-4-carbonyl]pyrrolidin-2-yl]methyl]-1,1-dimethylurea
CID 134063974
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986556
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 75590828
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72882003
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide
CID 74653127
[3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone
CID 74809267
3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide
CID 75266820
N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide
CID 50951360
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74621923

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide (CID 78083937) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide is CCc1nc(C)sc1CNC(=O)C1CNNC1c1cccc(F)c1.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide?
The InChIKey is LIEDBRCSWBYZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-3-14-15(24-10(2)21-14)9-19-17(23)13-8-20-22-16(13)11-5-4-6-12(18)7-11/h4-7,13,16,20,22H,3,8-9H2,1-2H3,(H,19,23).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 78083937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).