N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide

C27H29N3O3S — CID 51069490

IUPACN-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)c1cccs1
InChIInChI=1S/C27H29N3O3S/c1-4-17-29(26(31)25-16-11-18-34-25)19-21-22(5-2)28-30(20-12-7-6-8-13-20)27(21)33-24-15-10-9-14-23(24)32-3/h6-16,18H,4-5,17,19H2,1-3H3
InChIKeyPHEHPFSOMLAVSN-UHFFFAOYSA-N
MW475.61 g/mol
LogP6.35
Rot. Bonds10

About N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide

N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide (PubChem CID 51069490) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide
PubChem CID51069490
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC NameN-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)c1cccs1
InChIInChI=1S/C27H29N3O3S/c1-4-17-29(26(31)25-16-11-18-34-25)19-21-22(5-2)28-30(20-12-7-6-8-13-20)27(21)33-24-15-10-9-14-23(24)32-3/h6-16,18H,4-5,17,19H2,1-3H3
InChIKeyPHEHPFSOMLAVSN-UHFFFAOYSA-N
XLogP6.35
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.61
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide?
The IUPAC name of N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide (CID 51069490) is N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide is CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)c1cccs1.
What is the InChIKey of N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide?
The InChIKey is PHEHPFSOMLAVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-4-17-29(26(31)25-16-11-18-34-25)19-21-22(5-2)28-30(20-12-7-6-8-13-20)27(21)33-24-15-10-9-14-23(24)32-3/h6-16,18H,4-5,17,19H2,1-3H3.
What are the key properties of N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide?
N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide has a molecular weight of 475.61 g/mol, XLogP of 6.35, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 51069490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).