cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C18H18F3N3O — CID 97009567

IUPACcis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCn1nc2c(c1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)CCC2
InChIInChI=1S/C18H18F3N3O/c1-24-16(11-6-4-8-15(11)23-24)22-17(25)13-9-12(13)10-5-2-3-7-14(10)18(19,20)21/h2-3,5,7,12-13H,4,6,8-9H2,1H3,(H,22,25)/t12-,13-/m0/s1
InChIKeyXNZXFFXHRQAXNJ-STQMWFEESA-N
MW349.36 g/mol
LogP3.67
Rot. Bonds3

About cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 97009567) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID97009567
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Namecis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCn1nc2c(c1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)CCC2
InChIInChI=1S/C18H18F3N3O/c1-24-16(11-6-4-8-15(11)23-24)22-17(25)13-9-12(13)10-5-2-3-7-14(10)18(19,20)21/h2-3,5,7,12-13H,4,6,8-9H2,1H3,(H,22,25)/t12-,13-/m0/s1
InChIKeyXNZXFFXHRQAXNJ-STQMWFEESA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 97185406
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806379
cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 124859937
(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440
N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 134055578
N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112835261
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 97004714
N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 71899915
1-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 124700304
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 97009567) is cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is Cn1nc2c(c1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)CCC2.
What is the InChIKey of cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is XNZXFFXHRQAXNJ-STQMWFEESA-N. The full InChI is InChI=1S/C18H18F3N3O/c1-24-16(11-6-4-8-15(11)23-24)22-17(25)13-9-12(13)10-5-2-3-7-14(10)18(19,20)21/h2-3,5,7,12-13H,4,6,8-9H2,1H3,(H,22,25)/t12-,13-/m0/s1.
What are the key properties of cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97009567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).