[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate

C15H17ClN4O2 — CID 175285340

IUPAC[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate
SMILESNC(=O)OC1CN(Cc2cnn(Cc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C15H17ClN4O2/c16-13-3-1-11(2-4-13)7-20-8-12(5-18-20)6-19-9-14(10-19)22-15(17)21/h1-5,8,14H,6-7,9-10H2,(H2,17,21)
InChIKeySRUKWCZKMGTAKS-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.86
Rot. Bonds5

About [1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate

[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate (PubChem CID 175285340) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is [1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate
PubChem CID175285340
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate
SMILESNC(=O)OC1CN(Cc2cnn(Cc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C15H17ClN4O2/c16-13-3-1-11(2-4-13)7-20-8-12(5-18-20)6-19-9-14(10-19)22-15(17)21/h1-5,8,14H,6-7,9-10H2,(H2,17,21)
InChIKeySRUKWCZKMGTAKS-UHFFFAOYSA-N
XLogP1.86
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-O-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl] 1-O-ethyl propanedioate
CID 151926408
[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate
CID 90281726
1-[(1-benzylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125500
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]propan-1-one
CID 55110396
[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate
CID 175174460
3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine
CID 130531127
[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone
CID 145315932
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120837476
(4-chlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331488
1-[(4-chlorophenyl)methyl]triazole-4-carboxamide
CID 154805457
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine
CID 120834479

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate?
The IUPAC name of [1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate (CID 175285340) is [1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate.
What is the SMILES notation for [1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate?
The canonical SMILES for [1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate is NC(=O)OC1CN(Cc2cnn(Cc3ccc(Cl)cc3)c2)C1.
What is the InChIKey of [1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate?
The InChIKey is SRUKWCZKMGTAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c16-13-3-1-11(2-4-13)7-20-8-12(5-18-20)6-19-9-14(10-19)22-15(17)21/h1-5,8,14H,6-7,9-10H2,(H2,17,21).
What are the key properties of [1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate?
[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate has a molecular weight of 320.78 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl] carbamate is sourced from PubChem (CID 175285340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).