[2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone

C14H17F2N5O — CID 138035400

IUPAC[2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
SMILESCc1[nH]ncc1C1CCN(C(=O)c2ccnn2C(F)F)CC1
InChIInChI=1S/C14H17F2N5O/c1-9-11(8-17-19-9)10-3-6-20(7-4-10)13(22)12-2-5-18-21(12)14(15)16/h2,5,8,10,14H,3-4,6-7H2,1H3,(H,17,19)
InChIKeyVNGDTGOWPAAVSX-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.33
Rot. Bonds3

About [2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone

[2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 138035400) has the molecular formula C14H17F2N5O and a molecular weight of 309.32 g/mol. Its IUPAC name is [2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID138035400
Molecular FormulaC14H17F2N5O
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name[2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
SMILESCc1[nH]ncc1C1CCN(C(=O)c2ccnn2C(F)F)CC1
InChIInChI=1S/C14H17F2N5O/c1-9-11(8-17-19-9)10-3-6-20(7-4-10)13(22)12-2-5-18-21(12)14(15)16/h2,5,8,10,14H,3-4,6-7H2,1H3,(H,17,19)
InChIKeyVNGDTGOWPAAVSX-UHFFFAOYSA-N
XLogP2.33
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone (CID 138035400) is [2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone is Cc1[nH]ncc1C1CCN(C(=O)c2ccnn2C(F)F)CC1.
What is the InChIKey of [2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is VNGDTGOWPAAVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O/c1-9-11(8-17-19-9)10-3-6-20(7-4-10)13(22)12-2-5-18-21(12)14(15)16/h2,5,8,10,14H,3-4,6-7H2,1H3,(H,17,19).
What are the key properties of [2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone?
[2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 309.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 138035400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).