benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate

C18H22N4O3 — CID 146024159

IUPACbenzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate
SMILESCc1n[nH]c(C)c1CC(=O)N1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H22N4O3/c1-12-16(13(2)21-20-12)8-17(23)22-9-15(10-22)19-18(24)25-11-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyOSQMVZLDRNIQBQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.71
Rot. Bonds5

About benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate

benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate (PubChem CID 146024159) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate
PubChem CID146024159
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namebenzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate
SMILESCc1n[nH]c(C)c1CC(=O)N1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H22N4O3/c1-12-16(13(2)21-20-12)8-17(23)22-9-15(10-22)19-18(24)25-11-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyOSQMVZLDRNIQBQ-UHFFFAOYSA-N
XLogP1.71
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide
CID 110086608
benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate
CID 146024085
1-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 56750877
benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate
CID 112545027
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124990187
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate
CID 59336914
benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate
CID 146024173
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate
CID 139373881

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate (CID 146024159) is benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate is Cc1n[nH]c(C)c1CC(=O)N1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate?
The InChIKey is OSQMVZLDRNIQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-16(13(2)21-20-12)8-17(23)22-9-15(10-22)19-18(24)25-11-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate?
benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 146024159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).