5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine

C13H22N4O — CID 135306104

IUPAC5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(CCOC3CC3)CC2)[nH]n1
InChIInChI=1S/C13H22N4O/c14-13-9-12(15-16-13)10-3-5-17(6-4-10)7-8-18-11-1-2-11/h9-11H,1-8H2,(H3,14,15,16)
InChIKeyINAMRWDPWLUTKS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.35
Rot. Bonds5

About 5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine

5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine (PubChem CID 135306104) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine
PubChem CID135306104
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(CCOC3CC3)CC2)[nH]n1
InChIInChI=1S/C13H22N4O/c14-13-9-12(15-16-13)10-3-5-17(6-4-10)7-8-18-11-1-2-11/h9-11H,1-8H2,(H3,14,15,16)
InChIKeyINAMRWDPWLUTKS-UHFFFAOYSA-N
XLogP1.35
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine (CID 135306104) is 5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine is Nc1cc(C2CCN(CCOC3CC3)CC2)[nH]n1.
What is the InChIKey of 5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine?
The InChIKey is INAMRWDPWLUTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c14-13-9-12(15-16-13)10-3-5-17(6-4-10)7-8-18-11-1-2-11/h9-11H,1-8H2,(H3,14,15,16).
What are the key properties of 5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine?
5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine has a molecular weight of 250.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-cyclopropyloxyethyl)piperidin-4-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 135306104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).