benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate

C17H22N4O2 — CID 122631004

IUPACbenzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCc1cc(N)n(C2CCN(C(=O)OCc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2/c1-13-11-16(18)21(19-13)15-7-9-20(10-8-15)17(22)23-12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12,18H2,1H3
InChIKeyHQHBNKBXZLBELL-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.75
Rot. Bonds3

About benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate

benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 122631004) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate
PubChem CID122631004
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Namebenzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCc1cc(N)n(C2CCN(C(=O)OCc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2/c1-13-11-16(18)21(19-13)15-7-9-20(10-8-15)17(22)23-12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12,18H2,1H3
InChIKeyHQHBNKBXZLBELL-UHFFFAOYSA-N
XLogP2.75
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-(3-benzyl-5-oxo-4H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 136814405
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 45489946
benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
CID 156613475
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
CID 69040986
benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 121160967
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate
CID 134957623
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate (CID 122631004) is benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate is Cc1cc(N)n(C2CCN(C(=O)OCc3ccccc3)CC2)n1.
What is the InChIKey of benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is HQHBNKBXZLBELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-11-16(18)21(19-13)15-7-9-20(10-8-15)17(22)23-12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12,18H2,1H3.
What are the key properties of benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate?
benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 122631004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).