phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate

C21H23N3O2 — CID 66876623

IUPACphenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate
SMILESCc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-15-10-8-9-13-17(15)24-19(14-18(23-24)21(2,3)4)22-20(25)26-16-11-6-5-7-12-16/h5-14H,1-4H3,(H,22,25)
InChIKeyCHLNZONGAWKLSK-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.09
Rot. Bonds3

About phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate

phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate (PubChem CID 66876623) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate
PubChem CID66876623
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Namephenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate
SMILESCc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-15-10-8-9-13-17(15)24-19(14-18(23-24)21(2,3)4)22-20(25)26-16-11-6-5-7-12-16/h5-14H,1-4H3,(H,22,25)
InChIKeyCHLNZONGAWKLSK-UHFFFAOYSA-N
XLogP5.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-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
(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
CID 67091124
phenyl N-[3-tert-butyl-1-(1-methoxy-6-methylpyridin-1-ium-3-yl)pyrazol-5-yl]carbamate
CID 142204990
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]propanamide
CID 770939
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 42732928
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-3-chlorobenzamide
CID 42730580
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 42732923
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenoxyacetyl)amino]acetamide
CID 42735531
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 42731375
(E)-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 1052140
phenyl N-(3-tert-butyl-1-cyclohexylpyrazol-5-yl)carbamate
CID 67159405
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 1052142

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate (CID 66876623) is phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate is Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate?
The InChIKey is CHLNZONGAWKLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-10-8-9-13-17(15)24-19(14-18(23-24)21(2,3)4)22-20(25)26-16-11-6-5-7-12-16/h5-14H,1-4H3,(H,22,25).
What are the key properties of phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate?
phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate has a molecular weight of 349.43 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 66876623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).