2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine

C22H23N5 — CID 157316786

IUPAC2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine
SMILESCc1ccn(-c2cccc(C(C)(C)c3cccc(-n4ccc(C)n4)n3)c2)n1
InChIInChI=1S/C22H23N5/c1-16-11-13-26(24-16)19-8-5-7-18(15-19)22(3,4)20-9-6-10-21(23-20)27-14-12-17(2)25-27/h5-15H,1-4H3
InChIKeyUYQWPCDQAKVVAI-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.40
Rot. Bonds4

About 2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine

2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine (PubChem CID 157316786) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine
PubChem CID157316786
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine
SMILESCc1ccn(-c2cccc(C(C)(C)c3cccc(-n4ccc(C)n4)n3)c2)n1
InChIInChI=1S/C22H23N5/c1-16-11-13-26(24-16)19-8-5-7-18(15-19)22(3,4)20-9-6-10-21(23-20)27-14-12-17(2)25-27/h5-15H,1-4H3
InChIKeyUYQWPCDQAKVVAI-UHFFFAOYSA-N
XLogP4.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 158279519
N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine
CID 115498576
1-(4-tert-butylphenyl)-3-methylpyrazole
CID 155445813
ethane;3-methyl-1-phenylpyrazole
CID 91357840
4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 166601638
1-(3,4-dimethylphenyl)-3-methylpyrazole
CID 90368021
1-(3-tert-butylphenyl)imidazole
CID 59332766
1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole
CID 59816887
2,6-ditert-butyl-4-(3-methylpyrazol-1-yl)phenol
CID 12795218
2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 58161891
1-(3-tert-butylphenyl)-4-fluoropyrazole
CID 146480289
2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine
CID 58184826

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine (CID 157316786) is 2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine is Cc1ccn(-c2cccc(C(C)(C)c3cccc(-n4ccc(C)n4)n3)c2)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine?
The InChIKey is UYQWPCDQAKVVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-16-11-13-26(24-16)19-8-5-7-18(15-19)22(3,4)20-9-6-10-21(23-20)27-14-12-17(2)25-27/h5-15H,1-4H3.
What are the key properties of 2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine?
2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine has a molecular weight of 357.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine is sourced from PubChem (CID 157316786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).