(2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone

C17H25F2N3O — CID 130236118

IUPAC(2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1cn(C2CCN(C(=O)C3CC3(F)F)CC2)nc1C(C)C
InChIInChI=1S/C17H25F2N3O/c1-4-12-10-22(20-15(12)11(2)3)13-5-7-21(8-6-13)16(23)14-9-17(14,18)19/h10-11,13-14H,4-9H2,1-3H3
InChIKeyPTTQTNPPQWEGBW-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.39
Rot. Bonds4

About (2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone

(2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 130236118) has the molecular formula C17H25F2N3O and a molecular weight of 325.40 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID130236118
Molecular FormulaC17H25F2N3O
Molecular Weight325.40 g/mol
Exact Mass325.20
IUPAC Name(2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1cn(C2CCN(C(=O)C3CC3(F)F)CC2)nc1C(C)C
InChIInChI=1S/C17H25F2N3O/c1-4-12-10-22(20-15(12)11(2)3)13-5-7-21(8-6-13)16(23)14-9-17(14,18)19/h10-11,13-14H,4-9H2,1-3H3
InChIKeyPTTQTNPPQWEGBW-UHFFFAOYSA-N
XLogP3.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.39
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-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone (CID 130236118) is (2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone is CCc1cn(C2CCN(C(=O)C3CC3(F)F)CC2)nc1C(C)C.
What is the InChIKey of (2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is PTTQTNPPQWEGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O/c1-4-12-10-22(20-15(12)11(2)3)13-5-7-21(8-6-13)16(23)14-9-17(14,18)19/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of (2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone?
(2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 325.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 130236118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).