tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate

C15H19ClN4O2 — CID 115112487

IUPACtert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate
SMILESCn1ncc(-c2ccc(Cl)c(NC(=O)OC(C)(C)C)c2)c1N
InChIInChI=1S/C15H19ClN4O2/c1-15(2,3)22-14(21)19-12-7-9(5-6-11(12)16)10-8-18-20(4)13(10)17/h5-8H,17H2,1-4H3,(H,19,21)
InChIKeyIRUJFYABSRTAAA-UHFFFAOYSA-N
MW322.80 g/mol
LogP3.67
Rot. Bonds2

About tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate

tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate (PubChem CID 115112487) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate
PubChem CID115112487
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Nametert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate
SMILESCn1ncc(-c2ccc(Cl)c(NC(=O)OC(C)(C)C)c2)c1N
InChIInChI=1S/C15H19ClN4O2/c1-15(2,3)22-14(21)19-12-7-9(5-6-11(12)16)10-8-18-20(4)13(10)17/h5-8H,17H2,1-4H3,(H,19,21)
InChIKeyIRUJFYABSRTAAA-UHFFFAOYSA-N
XLogP3.67
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate
CID 117465942
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
tert-butyl N-(2-chloro-5-nitrophenyl)carbamate
CID 58553070
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
CID 83387273
tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384262
N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide
CID 117450727
5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 115330655
tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate
CID 68786363

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate?
The IUPAC name of tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate (CID 115112487) is tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate is Cn1ncc(-c2ccc(Cl)c(NC(=O)OC(C)(C)C)c2)c1N.
What is the InChIKey of tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate?
The InChIKey is IRUJFYABSRTAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-15(2,3)22-14(21)19-12-7-9(5-6-11(12)16)10-8-18-20(4)13(10)17/h5-8H,17H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate?
tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate has a molecular weight of 322.80 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(5-amino-1-methylpyrazol-4-yl)-2-chlorophenyl]carbamate is sourced from PubChem (CID 115112487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).