(4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate

C11H11N3O3 — CID 142785609

IUPAC(4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate
SMILESCOc1ccc(OC(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C11H11N3O3/c1-16-8-2-4-9(5-3-8)17-11(15)13-10-6-7-12-14-10/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyYVUZPVSUBLPQIC-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.03
Rot. Bonds3

About (4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate

(4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate (PubChem CID 142785609) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is (4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate
PubChem CID142785609
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name(4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate
SMILESCOc1ccc(OC(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C11H11N3O3/c1-16-8-2-4-9(5-3-8)17-11(15)13-10-6-7-12-14-10/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyYVUZPVSUBLPQIC-UHFFFAOYSA-N
XLogP2.03
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate?
The IUPAC name of (4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate (CID 142785609) is (4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate?
The canonical SMILES for (4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate is COc1ccc(OC(=O)Nc2ccn[nH]2)cc1.
What is the InChIKey of (4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate?
The InChIKey is YVUZPVSUBLPQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-16-8-2-4-9(5-3-8)17-11(15)13-10-6-7-12-14-10/h2-7H,1H3,(H2,12,13,14,15).
What are the key properties of (4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate?
(4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate has a molecular weight of 233.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate is sourced from PubChem (CID 142785609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).