1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol

C15H17ClF3N5O — CID 167426162

IUPAC1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol
SMILESCn1nc(-c2cnc(Cl)cc2NN2CCC(O)CC2)cc1C(F)(F)F
InChIInChI=1S/C15H17ClF3N5O/c1-23-13(15(17,18)19)6-11(21-23)10-8-20-14(16)7-12(10)22-24-4-2-9(25)3-5-24/h6-9,25H,2-5H2,1H3,(H,20,22)
InChIKeyDFCUZCZRHSHYHV-UHFFFAOYSA-N
MW375.78 g/mol
LogP2.94
Rot. Bonds3

About 1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol

1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol (PubChem CID 167426162) has the molecular formula C15H17ClF3N5O and a molecular weight of 375.78 g/mol. Its IUPAC name is 1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol
PubChem CID167426162
Molecular FormulaC15H17ClF3N5O
Molecular Weight375.78 g/mol
Exact Mass375.11
IUPAC Name1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol
SMILESCn1nc(-c2cnc(Cl)cc2NN2CCC(O)CC2)cc1C(F)(F)F
InChIInChI=1S/C15H17ClF3N5O/c1-23-13(15(17,18)19)6-11(21-23)10-8-20-14(16)7-12(10)22-24-4-2-9(25)3-5-24/h6-9,25H,2-5H2,1H3,(H,20,22)
InChIKeyDFCUZCZRHSHYHV-UHFFFAOYSA-N
XLogP2.94
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol?
The IUPAC name of 1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol (CID 167426162) is 1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol.
What is the SMILES notation for 1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol?
The canonical SMILES for 1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol is Cn1nc(-c2cnc(Cl)cc2NN2CCC(O)CC2)cc1C(F)(F)F.
What is the InChIKey of 1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol?
The InChIKey is DFCUZCZRHSHYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N5O/c1-23-13(15(17,18)19)6-11(21-23)10-8-20-14(16)7-12(10)22-24-4-2-9(25)3-5-24/h6-9,25H,2-5H2,1H3,(H,20,22).
What are the key properties of 1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol?
1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol has a molecular weight of 375.78 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol is sourced from PubChem (CID 167426162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).