(2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate

C16H19N3O5 — CID 12836651

IUPAC(2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate
SMILESCC(C)Oc1ccccc1OC(=O)N(C)C(=O)Oc1cnn(C)c1
InChIInChI=1S/C16H19N3O5/c1-11(2)22-13-7-5-6-8-14(13)24-16(21)19(4)15(20)23-12-9-17-18(3)10-12/h5-11H,1-4H3
InChIKeyUMVVBFJMKKMLHJ-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.84
Rot. Bonds4

About (2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate

(2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate (PubChem CID 12836651) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is (2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate.

Molecular Properties

Compound Name(2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate
PubChem CID12836651
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name(2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate
SMILESCC(C)Oc1ccccc1OC(=O)N(C)C(=O)Oc1cnn(C)c1
InChIInChI=1S/C16H19N3O5/c1-11(2)22-13-7-5-6-8-14(13)24-16(21)19(4)15(20)23-12-9-17-18(3)10-12/h5-11H,1-4H3
InChIKeyUMVVBFJMKKMLHJ-UHFFFAOYSA-N
XLogP2.84
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane
CID 75367720
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 93607797
1-Ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole
CID 99801206
1-[1-(2-Phenoxyphenoxy)prop-2-enyl]pyrazole
CID 67887631
(1-Methyl-3-phenylmethoxypyrazol-4-yl) acetate
CID 69708510
(1-Ethyl-3-phenylmethoxypyrazol-4-yl) acetate
CID 69708814
(1-methylpyrazol-4-yl) N-(2-oxoethenyl)-N-(2-propan-2-yloxyphenoxy)carbamate
CID 88738998
(1-Methyl-3-phenylmethoxypyrazol-4-yl) propanoate
CID 91044769
(1-Ethyl-3-phenylmethoxypyrazol-4-yl) propanoate
CID 91540598
1-Methyl-4-phenoxypyrazole
CID 117229332
(1-Acetyl-4-phenoxypyrazol-3-yl) acetate
CID 118430533
1-(4-Phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone
CID 118430541

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate?
The IUPAC name of (2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate (CID 12836651) is (2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate.
What is the SMILES notation for (2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate?
The canonical SMILES for (2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate is CC(C)Oc1ccccc1OC(=O)N(C)C(=O)Oc1cnn(C)c1.
What is the InChIKey of (2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate?
The InChIKey is UMVVBFJMKKMLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-11(2)22-13-7-5-6-8-14(13)24-16(21)19(4)15(20)23-12-9-17-18(3)10-12/h5-11H,1-4H3.
What are the key properties of (2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate?
(2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate has a molecular weight of 333.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxyphenyl) N-methyl-N-(1-methylpyrazol-4-yl)oxycarbonylcarbamate is sourced from PubChem (CID 12836651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).