[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate

C19H16F3N3O2 — CID 66760422

IUPAC[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate
SMILESCc1cccc(-n2nc(C(F)(F)F)cc2C(OC(N)=O)c2ccccc2)c1
InChIInChI=1S/C19H16F3N3O2/c1-12-6-5-9-14(10-12)25-15(11-16(24-25)19(20,21)22)17(27-18(23)26)13-7-3-2-4-8-13/h2-11,17H,1H3,(H2,23,26)
InChIKeyOSVFYFBSCRFRGP-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.38
Rot. Bonds4

About [[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate

[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate (PubChem CID 66760422) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is [[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate.

Molecular Properties

Compound Name[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate
PubChem CID66760422
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate
SMILESCc1cccc(-n2nc(C(F)(F)F)cc2C(OC(N)=O)c2ccccc2)c1
InChIInChI=1S/C19H16F3N3O2/c1-12-6-5-9-14(10-12)25-15(11-16(24-25)19(20,21)22)17(27-18(23)26)13-7-3-2-4-8-13/h2-11,17H,1H3,(H2,23,26)
InChIKeyOSVFYFBSCRFRGP-UHFFFAOYSA-N
XLogP4.38
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate?
The IUPAC name of [[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate (CID 66760422) is [[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate.
What is the SMILES notation for [[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate?
The canonical SMILES for [[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate is Cc1cccc(-n2nc(C(F)(F)F)cc2C(OC(N)=O)c2ccccc2)c1.
What is the InChIKey of [[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate?
The InChIKey is OSVFYFBSCRFRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-12-6-5-9-14(10-12)25-15(11-16(24-25)19(20,21)22)17(27-18(23)26)13-7-3-2-4-8-13/h2-11,17H,1H3,(H2,23,26).
What are the key properties of [[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate?
[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate has a molecular weight of 375.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate is sourced from PubChem (CID 66760422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).