benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate

C16H20N4O2 — CID 156613475

IUPACbenzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
SMILESNc1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1
InChIInChI=1S/C16H20N4O2/c17-14-10-18-20(11-14)15-6-8-19(9-7-15)16(21)22-12-13-4-2-1-3-5-13/h1-5,10-11,15H,6-9,12,17H2
InChIKeyIQEHWSFDBGYULJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.44
Rot. Bonds3

About benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate

benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 156613475) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
PubChem CID156613475
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Namebenzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
SMILESNc1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1
InChIInChI=1S/C16H20N4O2/c17-14-10-18-20(11-14)15-6-8-19(9-7-15)16(21)22-12-13-4-2-1-3-5-13/h1-5,10-11,15H,6-9,12,17H2
InChIKeyIQEHWSFDBGYULJ-UHFFFAOYSA-N
XLogP2.44
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 45489946
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
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-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate
CID 122631004
benzyl 4-[(3S)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 124666366
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
CID 69040986

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate (CID 156613475) is benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate is Nc1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1.
What is the InChIKey of benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is IQEHWSFDBGYULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-14-10-18-20(11-14)15-6-8-19(9-7-15)16(21)22-12-13-4-2-1-3-5-13/h1-5,10-11,15H,6-9,12,17H2.
What are the key properties of benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate?
benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 156613475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).