1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine

C10H16F2N4 — CID 50896773

IUPAC1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccnn2C(F)F)CC1
InChIInChI=1S/C10H16F2N4/c11-10(12)16-9(1-4-14-16)7-15-5-2-8(13)3-6-15/h1,4,8,10H,2-3,5-7,13H2
InChIKeyFEEQZWVEGHSPJM-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.20
Rot. Bonds3

About 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine

1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine (PubChem CID 50896773) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine
PubChem CID50896773
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccnn2C(F)F)CC1
InChIInChI=1S/C10H16F2N4/c11-10(12)16-9(1-4-14-16)7-15-5-2-8(13)3-6-15/h1,4,8,10H,2-3,5-7,13H2
InChIKeyFEEQZWVEGHSPJM-UHFFFAOYSA-N
XLogP1.20
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine (CID 50896773) is 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine is NC1CCN(Cc2ccnn2C(F)F)CC1.
What is the InChIKey of 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine?
The InChIKey is FEEQZWVEGHSPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4/c11-10(12)16-9(1-4-14-16)7-15-5-2-8(13)3-6-15/h1,4,8,10H,2-3,5-7,13H2.
What are the key properties of 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine?
1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine has a molecular weight of 230.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 50896773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).