cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid

C19H18FN3O3S — CID 120677354

IUPACcis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)cc12
InChIInChI=1S/C19H18FN3O3S/c1-10-15-9-16(17(24)21-13-5-2-11(8-13)19(25)26)27-18(15)23(22-10)14-6-3-12(20)4-7-14/h3-4,6-7,9,11,13H,2,5,8H2,1H3,(H,21,24)(H,25,26)/t11-,13+/m1/s1
InChIKeyHPHKBXWRNMTDSH-YPMHNXCESA-N
MW387.44 g/mol
LogP3.52
Rot. Bonds4

About cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677354) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677354
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Namecis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)cc12
InChIInChI=1S/C19H18FN3O3S/c1-10-15-9-16(17(24)21-13-5-2-11(8-13)19(25)26)27-18(15)23(22-10)14-6-3-12(20)4-7-14/h3-4,6-7,9,11,13H,2,5,8H2,1H3,(H,21,24)(H,25,26)/t11-,13+/m1/s1
InChIKeyHPHKBXWRNMTDSH-YPMHNXCESA-N
XLogP3.52
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2373019
[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
methyl 4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 66819290
1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 38212810
1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120554023
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
1-(4-fluorophenyl)-3-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 55723438
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 7415783
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2092336
[methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate
CID 89437726

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120677354) is cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)cc12.
What is the InChIKey of cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is HPHKBXWRNMTDSH-YPMHNXCESA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-10-15-9-16(17(24)21-13-5-2-11(8-13)19(25)26)27-18(15)23(22-10)14-6-3-12(20)4-7-14/h3-4,6-7,9,11,13H,2,5,8H2,1H3,(H,21,24)(H,25,26)/t11-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).