phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate

C19H19N3O2 — CID 66876806

IUPACphenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate
SMILESCC(C)c1cc(N(C(=O)Oc2ccccc2)c2ccccc2)n[nH]1
InChIInChI=1S/C19H19N3O2/c1-14(2)17-13-18(21-20-17)22(15-9-5-3-6-10-15)19(23)24-16-11-7-4-8-12-16/h3-14H,1-2H3,(H,20,21)
InChIKeyAYJXBBWICPDLPB-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.87
Rot. Bonds4

About phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate

phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate (PubChem CID 66876806) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate.

Molecular Properties

Compound Namephenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate
PubChem CID66876806
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namephenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate
SMILESCC(C)c1cc(N(C(=O)Oc2ccccc2)c2ccccc2)n[nH]1
InChIInChI=1S/C19H19N3O2/c1-14(2)17-13-18(21-20-17)22(15-9-5-3-6-10-15)19(23)24-16-11-7-4-8-12-16/h3-14H,1-2H3,(H,20,21)
InChIKeyAYJXBBWICPDLPB-UHFFFAOYSA-N
XLogP4.87
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate?
The IUPAC name of phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate (CID 66876806) is phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate.
What is the SMILES notation for phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate?
The canonical SMILES for phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate is CC(C)c1cc(N(C(=O)Oc2ccccc2)c2ccccc2)n[nH]1.
What is the InChIKey of phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate?
The InChIKey is AYJXBBWICPDLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(2)17-13-18(21-20-17)22(15-9-5-3-6-10-15)19(23)24-16-11-7-4-8-12-16/h3-14H,1-2H3,(H,20,21).
What are the key properties of phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate?
phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate has a molecular weight of 321.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate is sourced from PubChem (CID 66876806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).