(2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C19H21F2N3O2 — CID 56742403

IUPAC(2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cn[nH]c2C2CCN(C(=O)C3CC3(F)F)CC2)c1
InChIInChI=1S/C19H21F2N3O2/c1-26-14-4-2-3-13(9-14)15-11-22-23-17(15)12-5-7-24(8-6-12)18(25)16-10-19(16,20)21/h2-4,9,11-12,16H,5-8,10H2,1H3,(H,22,23)
InChIKeyCBQFJORKKOQLBM-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.45
Rot. Bonds4

About (2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 56742403) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID56742403
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name(2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cn[nH]c2C2CCN(C(=O)C3CC3(F)F)CC2)c1
InChIInChI=1S/C19H21F2N3O2/c1-26-14-4-2-3-13(9-14)15-11-22-23-17(15)12-5-7-24(8-6-12)18(25)16-10-19(16,20)21/h2-4,9,11-12,16H,5-8,10H2,1H3,(H,22,23)
InChIKeyCBQFJORKKOQLBM-UHFFFAOYSA-N
XLogP3.45
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 56742403) is (2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is COc1cccc(-c2cn[nH]c2C2CCN(C(=O)C3CC3(F)F)CC2)c1.
What is the InChIKey of (2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is CBQFJORKKOQLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-26-14-4-2-3-13(9-14)15-11-22-23-17(15)12-5-7-24(8-6-12)18(25)16-10-19(16,20)21/h2-4,9,11-12,16H,5-8,10H2,1H3,(H,22,23).
What are the key properties of (2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 361.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 56742403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).