2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine

C17H14ClN3O — CID 147277185

IUPAC2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine
SMILESClc1cc(Oc2cn(C3CC3)nc2-c2ccccc2)ccn1
InChIInChI=1S/C17H14ClN3O/c18-16-10-14(8-9-19-16)22-15-11-21(13-6-7-13)20-17(15)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2
InChIKeyCROZYJKIGNDCQD-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.73
Rot. Bonds4

About 2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine

2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine (PubChem CID 147277185) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine.

Molecular Properties

Compound Name2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine
PubChem CID147277185
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine
SMILESClc1cc(Oc2cn(C3CC3)nc2-c2ccccc2)ccn1
InChIInChI=1S/C17H14ClN3O/c18-16-10-14(8-9-19-16)22-15-11-21(13-6-7-13)20-17(15)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2
InChIKeyCROZYJKIGNDCQD-UHFFFAOYSA-N
XLogP4.73
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine
CID 150825451
3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid
CID 154975529
N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine
CID 150733617
3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine
CID 162781529
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile
CID 151105982
5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine
CID 169196519
2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine
CID 121249468
5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole
CID 169196635
[5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 170167158
2-chloro-4-(2-prop-1-enylphenoxy)pyridine
CID 77005915
2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol
CID 107712373

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine?
The IUPAC name of 2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine (CID 147277185) is 2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine.
What is the SMILES notation for 2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine?
The canonical SMILES for 2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine is Clc1cc(Oc2cn(C3CC3)nc2-c2ccccc2)ccn1.
What is the InChIKey of 2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine?
The InChIKey is CROZYJKIGNDCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-16-10-14(8-9-19-16)22-15-11-21(13-6-7-13)20-17(15)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2.
What are the key properties of 2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine?
2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine has a molecular weight of 311.77 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine is sourced from PubChem (CID 147277185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).