(2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C24H25F3N6O2 — CID 26337707

IUPAC(2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1/C=C/CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H25F3N6O2/c1-35-22-10-3-2-7-18(22)8-5-11-32-15-20(33-16-29-30-31-33)13-21(32)23(34)28-14-17-6-4-9-19(12-17)24(25,26)27/h2-10,12,16,20-21H,11,13-15H2,1H3,(H,28,34)/b8-5+/t20-,21+/m1/s1
InChIKeyMVYJVRLWVMNGBZ-OCXKFJFWSA-N
MW486.50 g/mol
LogP3.35
Rot. Bonds8

About (2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 26337707) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is (2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID26337707
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name(2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1/C=C/CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H25F3N6O2/c1-35-22-10-3-2-7-18(22)8-5-11-32-15-20(33-16-29-30-31-33)13-21(32)23(34)28-14-17-6-4-9-19(12-17)24(25,26)27/h2-10,12,16,20-21H,11,13-15H2,1H3,(H,28,34)/b8-5+/t20-,21+/m1/s1
InChIKeyMVYJVRLWVMNGBZ-OCXKFJFWSA-N
XLogP3.35
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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(4S)-1-(2-ethoxybenzyl)-N-(4-methylbenzyl)-4-(1H-tetrazol-1-yl)-L-prolinamide
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(4S)-1-(3-methoxybenzyl)-N-(4-methylbenzyl)-4-(1H-tetrazol-1-yl)-L-prolinamide
CID 42500560
(4S)-1-[2-(allyloxy)benzyl]-N-(4-methylbenzyl)-4-(1H-tetrazol-1-yl)-L-prolinamide
CID 42538282
1-[(2S,4S)-4-(benzylamino)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidin-2-yl]-2-[4-(4-fluorophenoxy)phenyl]ethanone
CID 58523010
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CID 58523134
1-[1-hydroxy-2-(tetrazol-1-yl)ethyl]-N-[5-methyl-4-[2-(trifluoromethoxy)phenyl]cyclohexa-2,4-dien-1-yl]piperidine-2-carboxamide
CID 153237939
(4R)-1-[(2E)-3-(2-furyl)-2-propen-1-yl]-4-(1H-tetrazol-1-yl)-N-[3-(trifluoromethyl)benzyl]-L-prolinamide
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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 26337707) is (2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is COc1ccccc1/C=C/CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is MVYJVRLWVMNGBZ-OCXKFJFWSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-35-22-10-3-2-7-18(22)8-5-11-32-15-20(33-16-29-30-31-33)13-21(32)23(34)28-14-17-6-4-9-19(12-17)24(25,26)27/h2-10,12,16,20-21H,11,13-15H2,1H3,(H,28,34)/b8-5+/t20-,21+/m1/s1.
What are the key properties of (2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 26337707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).