2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate

C14H17N3O2 — CID 583695

IUPAC2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCCn2ccc(C)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-11-3-5-13(6-4-11)15-14(18)19-10-9-17-8-7-12(2)16-17/h3-8H,9-10H2,1-2H3,(H,15,18)
InChIKeyZARMHLIZAGNSEJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.75
Rot. Bonds4

About 2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate

2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate (PubChem CID 583695) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate
PubChem CID583695
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCCn2ccc(C)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-11-3-5-13(6-4-11)15-14(18)19-10-9-17-8-7-12(2)16-17/h3-8H,9-10H2,1-2H3,(H,15,18)
InChIKeyZARMHLIZAGNSEJ-UHFFFAOYSA-N
XLogP2.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-3-[3-(3-methylpyrazol-1-yl)propyl]thiourea
CID 19334364
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
2-ethoxyethyl N-(4-methylphenyl)carbamate
CID 4614670
N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386
ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
amino N-(4-methylphenyl)carbamate
CID 22737872
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555927
2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyloxy]ethyl 2,2-dimethylpropanoate
CID 163646183
2-(3-methylpyrazol-1-yl)-N-pyridin-4-ylacetamide
CID 19516801

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate?
The IUPAC name of 2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate (CID 583695) is 2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCCn2ccc(C)n2)cc1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate?
The InChIKey is ZARMHLIZAGNSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-3-5-13(6-4-11)15-14(18)19-10-9-17-8-7-12(2)16-17/h3-8H,9-10H2,1-2H3,(H,15,18).
What are the key properties of 2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate?
2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate has a molecular weight of 259.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)ethyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 583695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).