N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide

C15H9Cl2F3N4O — CID 13127612

IUPACN-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide
SMILESN#Cc1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1NC(=O)C1CC1
InChIInChI=1S/C15H9Cl2F3N4O/c16-10-3-9(15(18,19)20)4-11(17)12(10)24-13(8(5-21)6-22-24)23-14(25)7-1-2-7/h3-4,6-7H,1-2H2,(H,23,25)
InChIKeyOGWCZNPNUJQNAE-UHFFFAOYSA-N
MW389.16 g/mol
LogP4.42
Rot. Bonds3

About N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide

N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide (PubChem CID 13127612) has the molecular formula C15H9Cl2F3N4O and a molecular weight of 389.16 g/mol. Its IUPAC name is N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide
PubChem CID13127612
Molecular FormulaC15H9Cl2F3N4O
Molecular Weight389.16 g/mol
Exact Mass388.01
IUPAC NameN-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide
SMILESN#Cc1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1NC(=O)C1CC1
InChIInChI=1S/C15H9Cl2F3N4O/c16-10-3-9(15(18,19)20)4-11(17)12(10)24-13(8(5-21)6-22-24)23-14(25)7-1-2-7/h3-4,6-7H,1-2H2,(H,23,25)
InChIKeyOGWCZNPNUJQNAE-UHFFFAOYSA-N
XLogP4.42
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.16
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide (CID 13127612) is N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide is N#Cc1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1NC(=O)C1CC1.
What is the InChIKey of N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide?
The InChIKey is OGWCZNPNUJQNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N4O/c16-10-3-9(15(18,19)20)4-11(17)12(10)24-13(8(5-21)6-22-24)23-14(25)7-1-2-7/h3-4,6-7H,1-2H2,(H,23,25).
What are the key properties of N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide?
N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide has a molecular weight of 389.16 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 13127612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).