[(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate

C20H21N3O3 — CID 71461122

IUPAC[(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate
SMILESCOc1ccc(-c2cnn(C)c2NC(=O)O[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(15-7-5-4-6-8-15)26-20(24)22-19-18(13-21-23(19)2)16-9-11-17(25-3)12-10-16/h4-14H,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyXJCSFLIWXAMLCJ-CQSZACIVSA-N
MW351.41 g/mol
LogP4.41
Rot. Bonds5

About [(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate

[(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate (PubChem CID 71461122) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate
PubChem CID71461122
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate
SMILESCOc1ccc(-c2cnn(C)c2NC(=O)O[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(15-7-5-4-6-8-15)26-20(24)22-19-18(13-21-23(19)2)16-9-11-17(25-3)12-10-16/h4-14H,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyXJCSFLIWXAMLCJ-CQSZACIVSA-N
XLogP4.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of [(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate (CID 71461122) is [(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for [(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for [(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate is COc1ccc(-c2cnn(C)c2NC(=O)O[C@H](C)c2ccccc2)cc1.
What is the InChIKey of [(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate?
The InChIKey is XJCSFLIWXAMLCJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(15-7-5-4-6-8-15)26-20(24)22-19-18(13-21-23(19)2)16-9-11-17(25-3)12-10-16/h4-14H,1-3H3,(H,22,24)/t14-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate?
[(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate has a molecular weight of 351.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 71461122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).