(2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone

C14H19F2N3O — CID 122485277

IUPAC(2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cn(C2CCN(C(=O)C3CC3(F)F)CC2)nc1C
InChIInChI=1S/C14H19F2N3O/c1-9-8-19(17-10(9)2)11-3-5-18(6-4-11)13(20)12-7-14(12,15)16/h8,11-12H,3-7H2,1-2H3
InChIKeyKUYKIPBNIWQPNI-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.32
Rot. Bonds2

About (2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone

(2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 122485277) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID122485277
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name(2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cn(C2CCN(C(=O)C3CC3(F)F)CC2)nc1C
InChIInChI=1S/C14H19F2N3O/c1-9-8-19(17-10(9)2)11-3-5-18(6-4-11)13(20)12-7-14(12,15)16/h8,11-12H,3-7H2,1-2H3
InChIKeyKUYKIPBNIWQPNI-UHFFFAOYSA-N
XLogP2.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone (CID 122485277) is (2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone is Cc1cn(C2CCN(C(=O)C3CC3(F)F)CC2)nc1C.
What is the InChIKey of (2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is KUYKIPBNIWQPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9-8-19(17-10(9)2)11-3-5-18(6-4-11)13(20)12-7-14(12,15)16/h8,11-12H,3-7H2,1-2H3.
What are the key properties of (2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone?
(2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 283.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 122485277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).