[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid

C15H18ClN3O2 — CID 67498571

IUPAC[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid
SMILESCC(C)(C)c1cc(CNC(=O)O)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClN3O2/c1-15(2,3)13-8-12(9-17-14(20)21)19(18-13)11-6-4-5-10(16)7-11/h4-8,17H,9H2,1-3H3,(H,20,21)
InChIKeyFSKYNHRVHDOYNG-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.59
Rot. Bonds3

About [3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid

[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid (PubChem CID 67498571) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is [3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid.

Molecular Properties

Compound Name[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid
PubChem CID67498571
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid
SMILESCC(C)(C)c1cc(CNC(=O)O)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClN3O2/c1-15(2,3)13-8-12(9-17-14(20)21)19(18-13)11-6-4-5-10(16)7-11/h4-8,17H,9H2,1-3H3,(H,20,21)
InChIKeyFSKYNHRVHDOYNG-UHFFFAOYSA-N
XLogP3.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid 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

1-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-N-chloromethanamine
CID 89036752
[3-tert-butyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]methylcarbamic acid
CID 70816422
N-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide
CID 164622697
1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)urea
CID 70816892
N-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 164621110
N-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-2-(2-fluorophenyl)propanamide
CID 164613178
1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-chloro-4-(hydroxymethyl)phenyl]urea
CID 70816584
N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
CID 123328677
1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)urea
CID 57334881
N-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-2-[4-[(dimethylamino)methyl]-3-fluorophenyl]propanamide
CID 70817048
N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-2-(methylamino)acetamide
CID 119733627
1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]urea
CID 70816346

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid?
The IUPAC name of [3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid (CID 67498571) is [3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid.
What is the SMILES notation for [3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid?
The canonical SMILES for [3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid is CC(C)(C)c1cc(CNC(=O)O)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of [3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid?
The InChIKey is FSKYNHRVHDOYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-15(2,3)13-8-12(9-17-14(20)21)19(18-13)11-6-4-5-10(16)7-11/h4-8,17H,9H2,1-3H3,(H,20,21).
What are the key properties of [3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid?
[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid has a molecular weight of 307.78 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methylcarbamic acid is sourced from PubChem (CID 67498571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).