N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C24H25N5O2S — CID 86266310

IUPACN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)n(C)n1
InChIInChI=1S/C24H25N5O2S/c1-28-22(14-20(26-28)18-5-3-4-6-23(18)31-2)24(30)25-10-11-29-21(16-7-8-16)13-19(27-29)17-9-12-32-15-17/h3-6,9,12-16H,7-8,10-11H2,1-2H3,(H,25,30)
InChIKeyZAAFCRTXQWIKRI-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.33
Rot. Bonds8

About N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide

N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 86266310) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID86266310
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)n(C)n1
InChIInChI=1S/C24H25N5O2S/c1-28-22(14-20(26-28)18-5-3-4-6-23(18)31-2)24(30)25-10-11-29-21(16-7-8-16)13-19(27-29)17-9-12-32-15-17/h3-6,9,12-16H,7-8,10-11H2,1-2H3,(H,25,30)
InChIKeyZAAFCRTXQWIKRI-UHFFFAOYSA-N
XLogP4.33
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 86266310) is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)n(C)n1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is ZAAFCRTXQWIKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-28-22(14-20(26-28)18-5-3-4-6-23(18)31-2)24(30)25-10-11-29-21(16-7-8-16)13-19(27-29)17-9-12-32-15-17/h3-6,9,12-16H,7-8,10-11H2,1-2H3,(H,25,30).
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 86266310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).