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

C14H15ClF2N4O — CID 167425810

IUPAC3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1
InChIInChI=1S/C14H15ClF2N4O/c15-13-5-12(18-6-8-3-9(22)4-8)10(7-19-13)11-1-2-21(20-11)14(16)17/h1-2,5,7-9,14,22H,3-4,6H2,(H,18,19)
InChIKeyDNUHKBIKIYKQOG-UHFFFAOYSA-N
MW328.75 g/mol
LogP3.18
Rot. Bonds5

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

3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclobutan-1-ol (PubChem CID 167425810) 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]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclobutan-1-ol
PubChem CID167425810
Molecular FormulaC14H15ClF2N4O
Molecular Weight328.75 g/mol
Exact Mass328.09
IUPAC Name3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1
InChIInChI=1S/C14H15ClF2N4O/c15-13-5-12(18-6-8-3-9(22)4-8)10(7-19-13)11-1-2-21(20-11)14(16)17/h1-2,5,7-9,14,22H,3-4,6H2,(H,18,19)
InChIKeyDNUHKBIKIYKQOG-UHFFFAOYSA-N
XLogP3.18
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

2-chloro-N-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridin-4-amine
CID 124160394
[4-[5-Cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]anilino]-(3,5-dichloropyridin-4-yl)methanol
CID 130411657
trans-(1S,2S)-4-[[4-(2-chloro-3-pyridinyl)pyrazol-1-yl]methyl]-2-fluorocyclopentan-1-ol
CID 137391900
cis-(1R,2S)-4-[[4-(2-chloro-3-pyridinyl)pyrazol-1-yl]methyl]-2-fluorocyclopentan-1-ol
CID 137391901
[1-[[2-Chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;2,2,2-trifluoroacetic acid
CID 146194143
[1-[[2-Chloro-6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]methanamine
CID 146194144
trans-(1R,2R)-4-[[4-(2-chloro-3-pyridinyl)pyrazol-1-yl]methyl]-2-fluorocyclopentan-1-ol
CID 154961167
(3-Chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 164141682
N-[1-[3-chloro-1-[(4,4-difluorocyclohexyl)methyl]-4-methylpyrazol-5-yl]ethenyl]-2-methylpyridin-4-amine;formamide
CID 166528458
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol
CID 167425594
4-[[2-Chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425605
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 167425613

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclobutan-1-ol (CID 167425810) is 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclobutan-1-ol is OC1CC(CNc2cc(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]methyl]cyclobutan-1-ol?
The InChIKey is DNUHKBIKIYKQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N4O/c15-13-5-12(18-6-8-3-9(22)4-8)10(7-19-13)11-1-2-21(20-11)14(16)17/h1-2,5,7-9,14,22H,3-4,6H2,(H,18,19).
What are the key properties of 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclobutan-1-ol?
3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 328.75 g/mol, XLogP of 3.18, 5 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]methyl]cyclobutan-1-ol is sourced from PubChem (CID 167425810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).