phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate

C15H19N3O3 — CID 123305303

IUPACphenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate
SMILESCn1nc(C(C)(C)CO)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-15(2,10-19)12-9-13(18(3)17-12)16-14(20)21-11-7-5-4-6-8-11/h4-9,19H,10H2,1-3H3,(H,16,20)
InChIKeyUTPOVTKZEIOGPE-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.30
Rot. Bonds4

About phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate

phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate (PubChem CID 123305303) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate
PubChem CID123305303
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Namephenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate
SMILESCn1nc(C(C)(C)CO)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-15(2,10-19)12-9-13(18(3)17-12)16-14(20)21-11-7-5-4-6-8-11/h4-9,19H,10H2,1-3H3,(H,16,20)
InChIKeyUTPOVTKZEIOGPE-UHFFFAOYSA-N
XLogP2.30
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-tert-butyl-5-(phenoxycarbonylamino)pyrazol-1-yl]acetic acid
CID 90915327
phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate
CID 66876623
phenyl N-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)carbamate
CID 67159405
phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate
CID 69410368
phenyl N-[3-tert-butyl-1-(1-methoxy-6-methylpyridin-1-ium-3-yl)pyrazol-5-yl]carbamate
CID 142204990
phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate
CID 123321223
(3-tert-butyl-1-methylpyrazol-5-yl) N-phenylcarbamate
CID 91312207
phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate
CID 123365476
phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate
CID 174715217
phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
CID 104862833
tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate
CID 59394708
1-[4-(6-amino-3-pyridinyl)phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea;methanesulfonic acid
CID 173035076

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate (CID 123305303) is phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate is Cn1nc(C(C)(C)CO)cc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate?
The InChIKey is UTPOVTKZEIOGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2,10-19)12-9-13(18(3)17-12)16-14(20)21-11-7-5-4-6-8-11/h4-9,19H,10H2,1-3H3,(H,16,20).
What are the key properties of phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate?
phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate has a molecular weight of 289.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 123305303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).