[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate

C17H20F3N5O3S — CID 154616628

IUPAC[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate
SMILESCc1ncc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NCC(F)(F)F)C3)[nH]n2)s1
InChIInChI=1S/C17H20F3N5O3S/c1-9-21-7-12(29-9)5-15(26)23-14-6-13(24-25-14)10-2-3-11(4-10)28-16(27)22-8-17(18,19)20/h6-7,10-11H,2-5,8H2,1H3,(H,22,27)(H2,23,24,25,26)/t10-,11+/m0/s1
InChIKeyOCFWFCNTACQZGP-WDEREUQCSA-N
MW431.44 g/mol
LogP3.28
Rot. Bonds6

About [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate

[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 154616628) has the molecular formula C17H20F3N5O3S and a molecular weight of 431.44 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate
PubChem CID154616628
Molecular FormulaC17H20F3N5O3S
Molecular Weight431.44 g/mol
Exact Mass431.12
IUPAC Name[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate
SMILESCc1ncc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NCC(F)(F)F)C3)[nH]n2)s1
InChIInChI=1S/C17H20F3N5O3S/c1-9-21-7-12(29-9)5-15(26)23-14-6-13(24-25-14)10-2-3-11(4-10)28-16(27)22-8-17(18,19)20/h6-7,10-11H,2-5,8H2,1H3,(H,22,27)(H2,23,24,25,26)/t10-,11+/m0/s1
InChIKeyOCFWFCNTACQZGP-WDEREUQCSA-N
XLogP3.28
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate with MolForge

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Related Compounds

US11014911, Example 159
CID 154616828
US11014911, Example 2
CID 154616857
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CID 154616536
US11014911, Example 394
CID 154616540
US11014911, Example 407
CID 154616606
US11014911, Example 400
CID 154616663
US11014911, Example 92
CID 155040541
US11014911, Example 79
CID 155040544
US11014911, Example 386
CID 155041044
US11014911, Example 403
CID 154616400
US11014911, Example 365
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US11014911, Example 390
CID 154616469

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate (CID 154616628) is [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate is Cc1ncc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NCC(F)(F)F)C3)[nH]n2)s1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is OCFWFCNTACQZGP-WDEREUQCSA-N. The full InChI is InChI=1S/C17H20F3N5O3S/c1-9-21-7-12(29-9)5-15(26)23-14-6-13(24-25-14)10-2-3-11(4-10)28-16(27)22-8-17(18,19)20/h6-7,10-11H,2-5,8H2,1H3,(H,22,27)(H2,23,24,25,26)/t10-,11+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate?
[(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 431.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 154616628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).