(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate

C22H25N3O2 — CID 67091124

IUPAC(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
SMILESCc1ccc(OC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H25N3O2/c1-15-6-10-17(11-7-15)25-20(14-19(24-25)22(3,4)5)23-21(26)27-18-12-8-16(2)9-13-18/h6-14H,1-5H3,(H,23,26)
InChIKeyGAVAHUFTBQDREF-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.40
Rot. Bonds3

About (4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate

(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate (PubChem CID 67091124) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Name(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
PubChem CID67091124
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
SMILESCc1ccc(OC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H25N3O2/c1-15-6-10-17(11-7-15)25-20(14-19(24-25)22(3,4)5)23-21(26)27-18-12-8-16(2)9-13-18/h6-14H,1-5H3,(H,23,26)
InChIKeyGAVAHUFTBQDREF-UHFFFAOYSA-N
XLogP5.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[3-tert-butyl-1-(1-methoxy-6-methylpyridin-1-ium-3-yl)pyrazol-5-yl]carbamate
CID 142204990
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-methoxyacetamide
CID 42732681
phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate
CID 66876623
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide
CID 67091609
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 42732663
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-methylpent-2-en-3-yl)urea
CID 91309352
[(2Z,4E)-hepta-2,4-dien-4-yl] N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
CID 142235460
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-ethylbenzamide
CID 42732616
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(3,5-difluorophenyl)urea
CID 162645586
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 67091317
2-[3-tert-butyl-5-(phenoxycarbonylamino)pyrazol-1-yl]acetic acid
CID 90915327

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate?
The IUPAC name of (4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate (CID 67091124) is (4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for (4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate?
The canonical SMILES for (4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate is Cc1ccc(OC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1.
What is the InChIKey of (4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate?
The InChIKey is GAVAHUFTBQDREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-6-10-17(11-7-15)25-20(14-19(24-25)22(3,4)5)23-21(26)27-18-12-8-16(2)9-13-18/h6-14H,1-5H3,(H,23,26).
What are the key properties of (4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate?
(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 67091124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).