benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate

C21H25N3O4 — CID 174547453

IUPACbenzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(=O)Oc1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1C1CC1
InChIInChI=1S/C21H25N3O4/c1-15(25)28-19-13-22-24(20(19)17-7-8-17)18-9-11-23(12-10-18)21(26)27-14-16-5-3-2-4-6-16/h2-6,13,17-18H,7-12,14H2,1H3
InChIKeyDIUHCAYVEUWTBN-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.66
Rot. Bonds5

About benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate

benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 174547453) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate
PubChem CID174547453
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Namebenzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(=O)Oc1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1C1CC1
InChIInChI=1S/C21H25N3O4/c1-15(25)28-19-13-22-24(20(19)17-7-8-17)18-9-11-23(12-10-18)21(26)27-14-16-5-3-2-4-6-16/h2-6,13,17-18H,7-12,14H2,1H3
InChIKeyDIUHCAYVEUWTBN-UHFFFAOYSA-N
XLogP3.66
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 45489946
benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
CID 156613475
benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate
CID 122631004
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
CID 23369982
benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate
CID 122394454
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
CID 69040986
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl 4-(3-benzyl-5-oxo-4H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 136814405

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate (CID 174547453) is benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate is CC(=O)Oc1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1C1CC1.
What is the InChIKey of benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is DIUHCAYVEUWTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15(25)28-19-13-22-24(20(19)17-7-8-17)18-9-11-23(12-10-18)21(26)27-14-16-5-3-2-4-6-16/h2-6,13,17-18H,7-12,14H2,1H3.
What are the key properties of benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate?
benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 174547453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).