1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone

C13H20N4O — CID 107108865

IUPAC1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone
SMILESNc1ccn(C2CCN(C(=O)CC3CC3)CC2)n1
InChIInChI=1S/C13H20N4O/c14-12-5-8-17(15-12)11-3-6-16(7-4-11)13(18)9-10-1-2-10/h5,8,10-11H,1-4,6-7,9H2,(H2,14,15)
InChIKeyUFVOJJNUDRTOAH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.43
Rot. Bonds3

About 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone

1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone (PubChem CID 107108865) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone
PubChem CID107108865
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone
SMILESNc1ccn(C2CCN(C(=O)CC3CC3)CC2)n1
InChIInChI=1S/C13H20N4O/c14-12-5-8-17(15-12)11-3-6-16(7-4-11)13(18)9-10-1-2-10/h5,8,10-11H,1-4,6-7,9H2,(H2,14,15)
InChIKeyUFVOJJNUDRTOAH-UHFFFAOYSA-N
XLogP1.43
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone
CID 107109068
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 107109025
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one
CID 107109138
4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 107109443
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 107109167
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
CID 107108689
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107175008
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
1-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-2-iodoethanone
CID 137499504
4-(3-aminopyrazol-1-yl)-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 107109508
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 107108777

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone?
The IUPAC name of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone (CID 107108865) is 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone?
The canonical SMILES for 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone is Nc1ccn(C2CCN(C(=O)CC3CC3)CC2)n1.
What is the InChIKey of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone?
The InChIKey is UFVOJJNUDRTOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-12-5-8-17(15-12)11-3-6-16(7-4-11)13(18)9-10-1-2-10/h5,8,10-11H,1-4,6-7,9H2,(H2,14,15).
What are the key properties of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone?
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone is sourced from PubChem (CID 107108865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).