1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide

C19H23FN4O2S — CID 47887090

IUPAC1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCSC1)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H23FN4O2S/c20-15-2-1-3-16(12-15)24-6-4-17(22-24)18(25)21-13-19(5-11-27-14-19)23-7-9-26-10-8-23/h1-4,6,12H,5,7-11,13-14H2,(H,21,25)
InChIKeyNBRXLIKUIJLYKL-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.95
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide

1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 47887090) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID47887090
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCSC1)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H23FN4O2S/c20-15-2-1-3-16(12-15)24-6-4-17(22-24)18(25)21-13-19(5-11-27-14-19)23-7-9-26-10-8-23/h1-4,6,12H,5,7-11,13-14H2,(H,21,25)
InChIKeyNBRXLIKUIJLYKL-UHFFFAOYSA-N
XLogP1.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
CID 39155566
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
1-[(3-fluorophenyl)methyl]-2-methyl-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 111876329
1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 52833946
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 51125025
1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 47855978
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
1-tert-butyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 47056037
2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide
CID 139028683

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide (CID 47887090) is 1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide is O=C(NCC1(N2CCOCC2)CCSC1)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is NBRXLIKUIJLYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c20-15-2-1-3-16(12-15)24-6-4-17(22-24)18(25)21-13-19(5-11-27-14-19)23-7-9-26-10-8-23/h1-4,6,12H,5,7-11,13-14H2,(H,21,25).
What are the key properties of 1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 47887090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).