2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate

C18H17N3O2 — CID 68567421

IUPAC2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)OCCc1ccccc1
InChIInChI=1S/C18H17N3O2/c22-18(23-11-10-14-4-2-1-3-5-14)21-17-8-6-15(7-9-17)16-12-19-20-13-16/h1-9,12-13H,10-11H2,(H,19,20)(H,21,22)
InChIKeyDBMNEGKFLVXZQO-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.87
Rot. Bonds5

About 2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate

2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate (PubChem CID 68567421) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate
PubChem CID68567421
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)OCCc1ccccc1
InChIInChI=1S/C18H17N3O2/c22-18(23-11-10-14-4-2-1-3-5-14)21-17-8-6-15(7-9-17)16-12-19-20-13-16/h1-9,12-13H,10-11H2,(H,19,20)(H,21,22)
InChIKeyDBMNEGKFLVXZQO-UHFFFAOYSA-N
XLogP3.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate?
The IUPAC name of 2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate (CID 68567421) is 2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate.
What is the SMILES notation for 2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate?
The canonical SMILES for 2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate is O=C(Nc1ccc(-c2cn[nH]c2)cc1)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate?
The InChIKey is DBMNEGKFLVXZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(23-11-10-14-4-2-1-3-5-14)21-17-8-6-15(7-9-17)16-12-19-20-13-16/h1-9,12-13H,10-11H2,(H,19,20)(H,21,22).
What are the key properties of 2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate?
2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate has a molecular weight of 307.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate is sourced from PubChem (CID 68567421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).