benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate

C20H21N3O3 — CID 71561573

IUPACbenzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate
SMILESCc1nn(OCc2ccccc2)cc1CNC(=O)OCc1ccccc1
InChIInChI=1S/C20H21N3O3/c1-16-19(12-21-20(24)25-14-17-8-4-2-5-9-17)13-23(22-16)26-15-18-10-6-3-7-11-18/h2-11,13H,12,14-15H2,1H3,(H,21,24)
InChIKeyQENRRQADUKGTSY-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.25
Rot. Bonds7

About benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate

benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate (PubChem CID 71561573) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate
PubChem CID71561573
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Namebenzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate
SMILESCc1nn(OCc2ccccc2)cc1CNC(=O)OCc1ccccc1
InChIInChI=1S/C20H21N3O3/c1-16-19(12-21-20(24)25-14-17-8-4-2-5-9-17)13-23(22-16)26-15-18-10-6-3-7-11-18/h2-11,13H,12,14-15H2,1H3,(H,21,24)
InChIKeyQENRRQADUKGTSY-UHFFFAOYSA-N
XLogP3.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate
CID 23532304
ethyl 1,3-dimethyl-4-(phenylmethoxycarbonylaminomethyl)pyrazole-5-carboxylate
CID 165430985
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
CID 110714627
methyl 5-methyl-2-[4-(phenylmethoxycarbonylaminomethyl)phenyl]pyrazole-3-carboxylate
CID 142316753
benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 130161324
benzyl N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamate
CID 110717257
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate (CID 71561573) is benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate is Cc1nn(OCc2ccccc2)cc1CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate?
The InChIKey is QENRRQADUKGTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-16-19(12-21-20(24)25-14-17-8-4-2-5-9-17)13-23(22-16)26-15-18-10-6-3-7-11-18/h2-11,13H,12,14-15H2,1H3,(H,21,24).
What are the key properties of benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate?
benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate has a molecular weight of 351.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate is sourced from PubChem (CID 71561573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).