methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate

C14H15N3O2 — CID 134799294

IUPACmethyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate
SMILESCOC(=O)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-19-14(18)15-13-9-12(10-7-8-10)16-17(13)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,15,18)
InChIKeySZAGJSMCRWZADL-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.93
Rot. Bonds3

About methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate

methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate (PubChem CID 134799294) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate
PubChem CID134799294
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate
SMILESCOC(=O)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-19-14(18)15-13-9-12(10-7-8-10)16-17(13)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,15,18)
InChIKeySZAGJSMCRWZADL-UHFFFAOYSA-N
XLogP2.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate?
The IUPAC name of methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate (CID 134799294) is methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate.
What is the SMILES notation for methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate?
The canonical SMILES for methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate is COC(=O)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate?
The InChIKey is SZAGJSMCRWZADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-14(18)15-13-9-12(10-7-8-10)16-17(13)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,15,18).
What are the key properties of methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate?
methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate has a molecular weight of 257.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate is sourced from PubChem (CID 134799294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).