propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate

C8H13N3O2 — CID 104620556

IUPACpropan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate
SMILESCc1cn[nH]c1NC(=O)OC(C)C
InChIInChI=1S/C8H13N3O2/c1-5(2)13-8(12)10-7-6(3)4-9-11-7/h4-5H,1-3H3,(H2,9,10,11,12)
InChIKeyOFUREVLUXBBKPL-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.68
Rot. Bonds2

About propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate

propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate (PubChem CID 104620556) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate
PubChem CID104620556
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namepropan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate
SMILESCc1cn[nH]c1NC(=O)OC(C)C
InChIInChI=1S/C8H13N3O2/c1-5(2)13-8(12)10-7-6(3)4-9-11-7/h4-5H,1-3H3,(H2,9,10,11,12)
InChIKeyOFUREVLUXBBKPL-UHFFFAOYSA-N
XLogP1.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 115630334
2-(methylamino)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 104619088
2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 104621854
1-methyl-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 104620558
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104621851
2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104618928
N-(4-methyl-1H-pyrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 104620156
2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104618932
6-amino-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide
CID 104619007
N-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxamide
CID 104620563
2-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629929
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104621856

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate?
The IUPAC name of propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate (CID 104620556) is propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate?
The canonical SMILES for propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate is Cc1cn[nH]c1NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate?
The InChIKey is OFUREVLUXBBKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(2)13-8(12)10-7-6(3)4-9-11-7/h4-5H,1-3H3,(H2,9,10,11,12).
What are the key properties of propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate?
propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate has a molecular weight of 183.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate is sourced from PubChem (CID 104620556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).