methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate

C15H19N3O2 — CID 171489198

IUPACmethyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate
SMILESCOC(=O)NC[C@H](c1ccccc1)c1cnn(C)c1C
InChIInChI=1S/C15H19N3O2/c1-11-13(10-17-18(11)2)14(9-16-15(19)20-3)12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3,(H,16,19)/t14-/m1/s1
InChIKeyRLWVXHCSRXEYSZ-CQSZACIVSA-N
MW273.34 g/mol
LogP2.22
Rot. Bonds4

About methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate

methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate (PubChem CID 171489198) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate
PubChem CID171489198
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate
SMILESCOC(=O)NC[C@H](c1ccccc1)c1cnn(C)c1C
InChIInChI=1S/C15H19N3O2/c1-11-13(10-17-18(11)2)14(9-16-15(19)20-3)12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3,(H,16,19)/t14-/m1/s1
InChIKeyRLWVXHCSRXEYSZ-CQSZACIVSA-N
XLogP2.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[2-(3-Phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea
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methyl(((1-(2-phenylethyl)-1H-pyrazol-5-yl)methyl))amine
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N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
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3-(4-Ethyl-3-phenylpyrazol-1-yl)propan-1-amine
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3-(4-ethyl-3-phenylpyrazol-1-yl)-N-methylpropan-1-amine
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CID 177376631

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate?
The IUPAC name of methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate (CID 171489198) is methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate.
What is the SMILES notation for methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate?
The canonical SMILES for methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate is COC(=O)NC[C@H](c1ccccc1)c1cnn(C)c1C.
What is the InChIKey of methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate?
The InChIKey is RLWVXHCSRXEYSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-13(10-17-18(11)2)14(9-16-15(19)20-3)12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3,(H,16,19)/t14-/m1/s1.
What are the key properties of methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate?
methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate has a molecular weight of 273.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate is sourced from PubChem (CID 171489198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).