6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile

C14H15ClN4O — CID 147743300

IUPAC6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC(C)C(O)Cn1cc(-c2ccc(C#N)nc2Cl)cn1
InChIInChI=1S/C14H15ClN4O/c1-9(2)13(20)8-19-7-10(6-17-19)12-4-3-11(5-16)18-14(12)15/h3-4,6-7,9,13,20H,8H2,1-2H3
InChIKeyHATNFGIEEYFRSR-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.49
Rot. Bonds4

About 6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile

6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 147743300) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID147743300
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC(C)C(O)Cn1cc(-c2ccc(C#N)nc2Cl)cn1
InChIInChI=1S/C14H15ClN4O/c1-9(2)13(20)8-19-7-10(6-17-19)12-4-3-11(5-16)18-14(12)15/h3-4,6-7,9,13,20H,8H2,1-2H3
InChIKeyHATNFGIEEYFRSR-UHFFFAOYSA-N
XLogP2.49
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-5-[1-(2-oxopropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373959
5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137371520
6-chloro-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285789
6-chloro-5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374233
6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373955
6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137391908
1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
CID 83529434
4-methoxy-3-[1-(2-methylpropyl)pyrazol-4-yl]benzonitrile
CID 172914962
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile
CID 137374338
3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide
CID 63328310
6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371521
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylbenzotriazol-5-yl)pyridine-2-carbonitrile
CID 137373863

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile (CID 147743300) is 6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile is CC(C)C(O)Cn1cc(-c2ccc(C#N)nc2Cl)cn1.
What is the InChIKey of 6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is HATNFGIEEYFRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9(2)13(20)8-19-7-10(6-17-19)12-4-3-11(5-16)18-14(12)15/h3-4,6-7,9,13,20H,8H2,1-2H3.
What are the key properties of 6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?
6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 290.75 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 147743300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).