4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide

C24H27F3N4O4 — CID 18980931

IUPAC4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCCCOc1ccc(C2=NN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2N(C=O)CCOC)cc1
InChIInChI=1S/C24H27F3N4O4/c1-3-13-35-20-10-4-17(5-11-20)22-21(30(16-32)12-14-34-2)15-31(29-22)23(33)28-19-8-6-18(7-9-19)24(25,26)27/h4-11,16,21H,3,12-15H2,1-2H3,(H,28,33)
InChIKeyPUGWTYIYJDMVPC-UHFFFAOYSA-N
MW492.50 g/mol
LogP4.22
Rot. Bonds10

About 4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide

4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 18980931) has the molecular formula C24H27F3N4O4 and a molecular weight of 492.50 g/mol. Its IUPAC name is 4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID18980931
Molecular FormulaC24H27F3N4O4
Molecular Weight492.50 g/mol
Exact Mass492.20
IUPAC Name4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCCCOc1ccc(C2=NN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2N(C=O)CCOC)cc1
InChIInChI=1S/C24H27F3N4O4/c1-3-13-35-20-10-4-17(5-11-20)22-21(30(16-32)12-14-34-2)15-31(29-22)23(33)28-19-8-6-18(7-9-19)24(25,26)27/h4-11,16,21H,3,12-15H2,1-2H3,(H,28,33)
InChIKeyPUGWTYIYJDMVPC-UHFFFAOYSA-N
XLogP4.22
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide (CID 18980931) is 4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide is CCCOc1ccc(C2=NN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2N(C=O)CCOC)cc1.
What is the InChIKey of 4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is PUGWTYIYJDMVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O4/c1-3-13-35-20-10-4-17(5-11-20)22-21(30(16-32)12-14-34-2)15-31(29-22)23(33)28-19-8-6-18(7-9-19)24(25,26)27/h4-11,16,21H,3,12-15H2,1-2H3,(H,28,33).
What are the key properties of 4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 492.50 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 18980931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).