(2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide

C14H14F3N5O — CID 30396293

IUPAC(2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
SMILESC[C@@H](C(=O)NC1CC1)n1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3N5O/c1-8(13(23)18-11-5-6-11)22-20-12(19-21-22)9-3-2-4-10(7-9)14(15,16)17/h2-4,7-8,11H,5-6H2,1H3,(H,18,23)/t8-/m0/s1
InChIKeyWVMACHWLKHUFHA-QMMMGPOBSA-N
MW325.29 g/mol
LogP2.20
Rot. Bonds4

About (2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide

(2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide (PubChem CID 30396293) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
PubChem CID30396293
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name(2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
SMILESC[C@@H](C(=O)NC1CC1)n1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3N5O/c1-8(13(23)18-11-5-6-11)22-20-12(19-21-22)9-3-2-4-10(7-9)14(15,16)17/h2-4,7-8,11H,5-6H2,1H3,(H,18,23)/t8-/m0/s1
InChIKeyWVMACHWLKHUFHA-QMMMGPOBSA-N
XLogP2.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 9353497
N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 55430423
N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 43058370
(2S)-1-(4-ethylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propan-1-one
CID 95270096
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 55430474
cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678868
N-cyclopropyl-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]propanamide
CID 134494048
2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]-N-(2,2-dimethylpropylideneamino)propanamide
CID 2730782
N-pentan-3-yl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4795699
1-(4-tert-butylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 7844990
N,N-dimethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8868431
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
CID 43024305

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide (CID 30396293) is (2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide is C[C@@H](C(=O)NC1CC1)n1nnc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The InChIKey is WVMACHWLKHUFHA-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-8(13(23)18-11-5-6-11)22-20-12(19-21-22)9-3-2-4-10(7-9)14(15,16)17/h2-4,7-8,11H,5-6H2,1H3,(H,18,23)/t8-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
(2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide has a molecular weight of 325.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide is sourced from PubChem (CID 30396293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).