3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol

C14H17ClN4O — CID 91828945

IUPAC3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol
SMILESCn1cc(C(Nc2ncccc2Cl)C2CC(O)C2)cn1
InChIInChI=1S/C14H17ClN4O/c1-19-8-10(7-17-19)13(9-5-11(20)6-9)18-14-12(15)3-2-4-16-14/h2-4,7-9,11,13,20H,5-6H2,1H3,(H,16,18)
InChIKeyUECWJTPJJDCUTC-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.39
Rot. Bonds4

About 3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol

3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol (PubChem CID 91828945) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol
PubChem CID91828945
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol
SMILESCn1cc(C(Nc2ncccc2Cl)C2CC(O)C2)cn1
InChIInChI=1S/C14H17ClN4O/c1-19-8-10(7-17-19)13(9-5-11(20)6-9)18-14-12(15)3-2-4-16-14/h2-4,7-9,11,13,20H,5-6H2,1H3,(H,16,18)
InChIKeyUECWJTPJJDCUTC-UHFFFAOYSA-N
XLogP2.39
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol (CID 91828945) is 3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol is Cn1cc(C(Nc2ncccc2Cl)C2CC(O)C2)cn1.
What is the InChIKey of 3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol?
The InChIKey is UECWJTPJJDCUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-19-8-10(7-17-19)13(9-5-11(20)6-9)18-14-12(15)3-2-4-16-14/h2-4,7-9,11,13,20H,5-6H2,1H3,(H,16,18).
What are the key properties of 3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol?
3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol has a molecular weight of 292.77 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 91828945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).