4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide

C13H21N5O2 — CID 107109508

IUPAC4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide
SMILESNc1ccn(C2CCN(C(=O)NC3CCOC3)CC2)n1
InChIInChI=1S/C13H21N5O2/c14-12-3-7-18(16-12)11-1-5-17(6-2-11)13(19)15-10-4-8-20-9-10/h3,7,10-11H,1-2,4-6,8-9H2,(H2,14,16)(H,15,19)
InChIKeyMVTIHPMISOAITO-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.60
Rot. Bonds2

About 4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide

4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide (PubChem CID 107109508) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide
PubChem CID107109508
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide
SMILESNc1ccn(C2CCN(C(=O)NC3CCOC3)CC2)n1
InChIInChI=1S/C13H21N5O2/c14-12-3-7-18(16-12)11-1-5-17(6-2-11)13(19)15-10-4-8-20-9-10/h3,7,10-11H,1-2,4-6,8-9H2,(H2,14,16)(H,15,19)
InChIKeyMVTIHPMISOAITO-UHFFFAOYSA-N
XLogP0.60
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 107109443
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone
CID 107108865
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
CID 107108689
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 107109167
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 107109025
3,4-dimethyl-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 115871728
4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 103839211
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 116657207
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 107108777
N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 115760770
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide (CID 107109508) is 4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide is Nc1ccn(C2CCN(C(=O)NC3CCOC3)CC2)n1.
What is the InChIKey of 4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide?
The InChIKey is MVTIHPMISOAITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c14-12-3-7-18(16-12)11-1-5-17(6-2-11)13(19)15-10-4-8-20-9-10/h3,7,10-11H,1-2,4-6,8-9H2,(H2,14,16)(H,15,19).
What are the key properties of 4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide?
4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 107109508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).