cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

C19H22F3N3O — CID 97185406

IUPACcis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H22F3N3O/c1-11-13(12(2)25(3)24-11)8-9-23-18(26)16-10-15(16)14-6-4-5-7-17(14)19(20,21)22/h4-7,15-16H,8-10H2,1-3H3,(H,23,26)/t15-,16-/m1/s1
InChIKeyTWOXGGWCJWWYPQ-HZPDHXFCSA-N
MW365.40 g/mol
LogP3.52
Rot. Bonds5

About cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 97185406) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID97185406
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Namecis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H22F3N3O/c1-11-13(12(2)25(3)24-11)8-9-23-18(26)16-10-15(16)14-6-4-5-7-17(14)19(20,21)22/h4-7,15-16H,8-10H2,1-3H3,(H,23,26)/t15-,16-/m1/s1
InChIKeyTWOXGGWCJWWYPQ-HZPDHXFCSA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 86929991
N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102556746
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96559310
1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
CID 95281399
1,3,5-trimethyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
CID 95281401
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
methyl 6-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]hexanoate
CID 86914458
N-[[2-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 86931345
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 97009567

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (CID 97185406) is cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is TWOXGGWCJWWYPQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-11-13(12(2)25(3)24-11)8-9-23-18(26)16-10-15(16)14-6-4-5-7-17(14)19(20,21)22/h4-7,15-16H,8-10H2,1-3H3,(H,23,26)/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97185406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).