tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate

C15H19N3O2 — CID 63789237

IUPACtert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)20-14(19)16-11-12-7-4-5-8-13(12)18-10-6-9-17-18/h4-10H,11H2,1-3H3,(H,16,19)
InChIKeyUQFIOBMBOPDPFA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.90
Rot. Bonds3

About tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate

tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate (PubChem CID 63789237) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
PubChem CID63789237
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nametert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)20-14(19)16-11-12-7-4-5-8-13(12)18-10-6-9-17-18/h4-10H,11H2,1-3H3,(H,16,19)
InChIKeyUQFIOBMBOPDPFA-UHFFFAOYSA-N
XLogP2.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[5-(cyanoamino)-2-pyrazol-1-ylphenyl]methyl]carbamate
CID 54233451
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 61165757
tert-butyl 4-[2-[(2-pyrazol-1-ylphenyl)methylcarbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56539191
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 62324592
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate
CID 133391365
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 81087122

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate (CID 63789237) is tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccccc1-n1cccn1.
What is the InChIKey of tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate?
The InChIKey is UQFIOBMBOPDPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)20-14(19)16-11-12-7-4-5-8-13(12)18-10-6-9-17-18/h4-10H,11H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate?
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate has a molecular weight of 273.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate is sourced from PubChem (CID 63789237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).