methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate

C15H16F3N3O2 — CID 42686579

IUPACmethyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate
SMILESCCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)OC
InChIInChI=1S/C15H16F3N3O2/c1-3-4-11-13(19-14(22)23-2)12(21-20-11)9-5-7-10(8-6-9)15(16,17)18/h5-8H,3-4H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyKURRGUMLLUYPJQ-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.23
Rot. Bonds4

About methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate

methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate (PubChem CID 42686579) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate
PubChem CID42686579
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Namemethyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate
SMILESCCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)OC
InChIInChI=1S/C15H16F3N3O2/c1-3-4-11-13(19-14(22)23-2)12(21-20-11)9-5-7-10(8-6-9)15(16,17)18/h5-8H,3-4H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyKURRGUMLLUYPJQ-UHFFFAOYSA-N
XLogP4.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate?
The IUPAC name of methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate (CID 42686579) is methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate?
The canonical SMILES for methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate is CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)OC.
What is the InChIKey of methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate?
The InChIKey is KURRGUMLLUYPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-3-4-11-13(19-14(22)23-2)12(21-20-11)9-5-7-10(8-6-9)15(16,17)18/h5-8H,3-4H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate?
methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate has a molecular weight of 327.31 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate is sourced from PubChem (CID 42686579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).