N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide

C17H24FN5OS — CID 128969669

IUPACN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2scnc2C)n(C)n1
InChIInChI=1S/C17H24FN5OS/c1-11-5-15(22(4)20-11)17(24)21(3)8-14-6-13(18)7-23(14)9-16-12(2)19-10-25-16/h5,10,13-14H,6-9H2,1-4H3/t13-,14-/m0/s1
InChIKeyYZRQODADEVBRTQ-KBPBESRZSA-N
MW365.48 g/mol
LogP2.18
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide

N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 128969669) has the molecular formula C17H24FN5OS and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID128969669
Molecular FormulaC17H24FN5OS
Molecular Weight365.48 g/mol
Exact Mass365.17
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2scnc2C)n(C)n1
InChIInChI=1S/C17H24FN5OS/c1-11-5-15(22(4)20-11)17(24)21(3)8-14-6-13(18)7-23(14)9-16-12(2)19-10-25-16/h5,10,13-14H,6-9H2,1-4H3/t13-,14-/m0/s1
InChIKeyYZRQODADEVBRTQ-KBPBESRZSA-N
XLogP2.18
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

2-[1-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)-2-pyrrolidinyl]-1,3-thiazole
CID 45188891
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 53623882
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779489
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 56779575
(2-Cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 56779825
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
(1,5-Dimethylpyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145417
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 45172138
2-(Pyrrolidin-1-ylcarbonyl)-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 50967328
(2-Methylpyrazol-3-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 72150220
3-(difluoromethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methyl-1H-pyrazole-5-carboxamide
CID 124215056
5-[(4-Methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 132394338

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide (CID 128969669) is N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2scnc2C)n(C)n1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is YZRQODADEVBRTQ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H24FN5OS/c1-11-5-15(22(4)20-11)17(24)21(3)8-14-6-13(18)7-23(14)9-16-12(2)19-10-25-16/h5,10,13-14H,6-9H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 128969669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).