N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H17F3N6O2 — CID 86887856

IUPACN-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c1C(F)(F)F
InChIInChI=1S/C18H17F3N6O2/c1-10(2)27-15(18(19,20)21)13(9-23-27)17(29)24-11-3-5-12(6-4-11)26-8-7-14(25-26)16(22)28/h3-10H,1-2H3,(H2,22,28)(H,24,29)
InChIKeyHUGNXPSTMHRXPZ-UHFFFAOYSA-N
MW406.37 g/mol
LogP3.02
Rot. Bonds5

About N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 86887856) has the molecular formula C18H17F3N6O2 and a molecular weight of 406.37 g/mol. Its IUPAC name is N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID86887856
Molecular FormulaC18H17F3N6O2
Molecular Weight406.37 g/mol
Exact Mass406.14
IUPAC NameN-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c1C(F)(F)F
InChIInChI=1S/C18H17F3N6O2/c1-10(2)27-15(18(19,20)21)13(9-23-27)17(29)24-11-3-5-12(6-4-11)26-8-7-14(25-26)16(22)28/h3-10H,1-2H3,(H2,22,28)(H,24,29)
InChIKeyHUGNXPSTMHRXPZ-UHFFFAOYSA-N
XLogP3.02
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 86887856) is N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)n1ncc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c1C(F)(F)F.
What is the InChIKey of N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HUGNXPSTMHRXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O2/c1-10(2)27-15(18(19,20)21)13(9-23-27)17(29)24-11-3-5-12(6-4-11)26-8-7-14(25-26)16(22)28/h3-10H,1-2H3,(H2,22,28)(H,24,29).
What are the key properties of N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 406.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86887856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).