1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C18H21F3N4O2 — CID 87042918

IUPAC1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C18H21F3N4O2/c1-24-12-15(16(23-24)18(19,20)21)17(26)22-14-4-2-13(3-5-14)6-7-25-8-10-27-11-9-25/h2-5,12H,6-11H2,1H3,(H,22,26)
InChIKeyYUJOXQVUUJBBLN-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.57
Rot. Bonds5

About 1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87042918) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87042918
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C18H21F3N4O2/c1-24-12-15(16(23-24)18(19,20)21)17(26)22-14-4-2-13(3-5-14)6-7-25-8-10-27-11-9-25/h2-5,12H,6-11H2,1H3,(H,22,26)
InChIKeyYUJOXQVUUJBBLN-UHFFFAOYSA-N
XLogP2.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87042918) is 1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is YUJOXQVUUJBBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-24-12-15(16(23-24)18(19,20)21)17(26)22-14-4-2-13(3-5-14)6-7-25-8-10-27-11-9-25/h2-5,12H,6-11H2,1H3,(H,22,26).
What are the key properties of 1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87042918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).