3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol

C14H15ClF2N4O — CID 167425881

IUPAC3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol
SMILESOC1CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1
InChIInChI=1S/C14H15ClF2N4O/c15-13-6-12(19-8-1-2-9(22)5-8)10(7-18-13)11-3-4-21(20-11)14(16)17/h3-4,6-9,14,22H,1-2,5H2,(H,18,19)
InChIKeyKQWBPBVWKMVVNJ-UHFFFAOYSA-N
MW328.75 g/mol
LogP3.32
Rot. Bonds4

About 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol

3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol (PubChem CID 167425881) has the molecular formula C14H15ClF2N4O and a molecular weight of 328.75 g/mol. Its IUPAC name is 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol
PubChem CID167425881
Molecular FormulaC14H15ClF2N4O
Molecular Weight328.75 g/mol
Exact Mass328.09
IUPAC Name3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol
SMILESOC1CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1
InChIInChI=1S/C14H15ClF2N4O/c15-13-6-12(19-8-1-2-9(22)5-8)10(7-18-13)11-3-4-21(20-11)14(16)17/h3-4,6-9,14,22H,1-2,5H2,(H,18,19)
InChIKeyKQWBPBVWKMVVNJ-UHFFFAOYSA-N
XLogP3.32
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol?
The IUPAC name of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol (CID 167425881) is 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol.
What is the SMILES notation for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol?
The canonical SMILES for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol is OC1CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1.
What is the InChIKey of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol?
The InChIKey is KQWBPBVWKMVVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N4O/c15-13-6-12(19-8-1-2-9(22)5-8)10(7-18-13)11-3-4-21(20-11)14(16)17/h3-4,6-9,14,22H,1-2,5H2,(H,18,19).
What are the key properties of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol?
3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol has a molecular weight of 328.75 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclopentan-1-ol is sourced from PubChem (CID 167425881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).