4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile

C14H8Cl2F3N3 — CID 18699453

IUPAC4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
SMILESN#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C1CC1
InChIInChI=1S/C14H8Cl2F3N3/c15-10-3-8(14(17,18)19)4-11(16)13(10)22-6-9(7-1-2-7)12(5-20)21-22/h3-4,6-7H,1-2H2
InChIKeyNHFNMUABCLLAKR-UHFFFAOYSA-N
MW346.14 g/mol
LogP4.95
Rot. Bonds2

About 4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile

4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile (PubChem CID 18699453) has the molecular formula C14H8Cl2F3N3 and a molecular weight of 346.14 g/mol. Its IUPAC name is 4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
PubChem CID18699453
Molecular FormulaC14H8Cl2F3N3
Molecular Weight346.14 g/mol
Exact Mass345.00
IUPAC Name4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
SMILESN#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C1CC1
InChIInChI=1S/C14H8Cl2F3N3/c15-10-3-8(14(17,18)19)4-11(16)13(10)22-6-9(7-1-2-7)12(5-20)21-22/h3-4,6-7H,1-2H2
InChIKeyNHFNMUABCLLAKR-UHFFFAOYSA-N
XLogP4.95
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
The IUPAC name of 4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile (CID 18699453) is 4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
The canonical SMILES for 4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile is N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C1CC1.
What is the InChIKey of 4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
The InChIKey is NHFNMUABCLLAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3N3/c15-10-3-8(14(17,18)19)4-11(16)13(10)22-6-9(7-1-2-7)12(5-20)21-22/h3-4,6-7H,1-2H2.
What are the key properties of 4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile has a molecular weight of 346.14 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile is sourced from PubChem (CID 18699453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).