[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone

C14H14ClF2N5O — CID 70776141

IUPAC[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(C(F)F)n1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H14ClF2N5O/c15-10-1-2-12(18-9-10)20-5-7-21(8-6-20)13(23)11-3-4-22(19-11)14(16)17/h1-4,9,14H,5-8H2
InChIKeyAVIIDVOQYVIKMB-UHFFFAOYSA-N
MW341.75 g/mol
LogP2.29
Rot. Bonds3

About [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone (PubChem CID 70776141) has the molecular formula C14H14ClF2N5O and a molecular weight of 341.75 g/mol. Its IUPAC name is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone
PubChem CID70776141
Molecular FormulaC14H14ClF2N5O
Molecular Weight341.75 g/mol
Exact Mass341.09
IUPAC Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(C(F)F)n1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H14ClF2N5O/c15-10-1-2-12(18-9-10)20-5-7-21(8-6-20)13(23)11-3-4-22(19-11)14(16)17/h1-4,9,14H,5-8H2
InChIKeyAVIIDVOQYVIKMB-UHFFFAOYSA-N
XLogP2.29
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 136525323
ethyl 4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 4866590
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70708291
5-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 56820279
[4-(1-aminoethyl)phenyl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 166238468
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 60593358
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone
CID 156585369
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641984
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 122156291
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 56564765
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 56820288
4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
CID 75464207

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone (CID 70776141) is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone is O=C(c1ccn(C(F)F)n1)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is AVIIDVOQYVIKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N5O/c15-10-1-2-12(18-9-10)20-5-7-21(8-6-20)13(23)11-3-4-22(19-11)14(16)17/h1-4,9,14H,5-8H2.
What are the key properties of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone?
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 341.75 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 70776141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).