ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate

C24H31N3O3 — CID 46089820

IUPACethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)n(-c2ccc(C(=O)N(CC)C3CCCCC3)cc2)n1
InChIInChI=1S/C24H31N3O3/c1-3-26(19-8-6-5-7-9-19)23(28)18-12-14-20(15-13-18)27-22(17-10-11-17)16-21(25-27)24(29)30-4-2/h12-17,19H,3-11H2,1-2H3
InChIKeySCLOJOSKPGVAIH-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.72
Rot. Bonds7

About ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate

ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate (PubChem CID 46089820) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate
PubChem CID46089820
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Nameethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)n(-c2ccc(C(=O)N(CC)C3CCCCC3)cc2)n1
InChIInChI=1S/C24H31N3O3/c1-3-26(19-8-6-5-7-9-19)23(28)18-12-14-20(15-13-18)27-22(17-10-11-17)16-21(25-27)24(29)30-4-2/h12-17,19H,3-11H2,1-2H3
InChIKeySCLOJOSKPGVAIH-UHFFFAOYSA-N
XLogP4.72
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate (CID 46089820) is ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate is CCOC(=O)c1cc(C2CC2)n(-c2ccc(C(=O)N(CC)C3CCCCC3)cc2)n1.
What is the InChIKey of ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate?
The InChIKey is SCLOJOSKPGVAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-26(19-8-6-5-7-9-19)23(28)18-12-14-20(15-13-18)27-22(17-10-11-17)16-21(25-27)24(29)30-4-2/h12-17,19H,3-11H2,1-2H3.
What are the key properties of ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate?
ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate has a molecular weight of 409.53 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate is sourced from PubChem (CID 46089820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).