4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine

C20H17N5O — CID 28664911

IUPAC4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine
SMILESCOc1ccnc(-c2cccc(-c3ccn(Cc4cccnc4)n3)c2)n1
InChIInChI=1S/C20H17N5O/c1-26-19-7-10-22-20(23-19)17-6-2-5-16(12-17)18-8-11-25(24-18)14-15-4-3-9-21-13-15/h2-13H,14H2,1H3
InChIKeyZMCAWPDMGPFREF-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.46
Rot. Bonds5

About 4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine

4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine (PubChem CID 28664911) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine
PubChem CID28664911
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine
SMILESCOc1ccnc(-c2cccc(-c3ccn(Cc4cccnc4)n3)c2)n1
InChIInChI=1S/C20H17N5O/c1-26-19-7-10-22-20(23-19)17-6-2-5-16(12-17)18-8-11-25(24-18)14-15-4-3-9-21-13-15/h2-13H,14H2,1H3
InChIKeyZMCAWPDMGPFREF-UHFFFAOYSA-N
XLogP3.46
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
6-chloro-5-methoxy-2-[3-(1-methylpyrazol-3-yl)phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 168923080
3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine
CID 30897324
4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29057238
3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine
CID 168964871
2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid
CID 168965601
5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine
CID 168965374
[2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol
CID 172812427
2-[[3-(3-pyrazin-2-ylphenyl)pyrazol-1-yl]methyl]-1,3-benzothiazole
CID 29254823
3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole
CID 174759475
4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine
CID 99964690
2-[4-(1-methylpyrazol-3-yl)-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]ethanesulfonic acid
CID 169043322

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine?
The IUPAC name of 4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine (CID 28664911) is 4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine is COc1ccnc(-c2cccc(-c3ccn(Cc4cccnc4)n3)c2)n1.
What is the InChIKey of 4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine?
The InChIKey is ZMCAWPDMGPFREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-26-19-7-10-22-20(23-19)17-6-2-5-16(12-17)18-8-11-25(24-18)14-15-4-3-9-21-13-15/h2-13H,14H2,1H3.
What are the key properties of 4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine?
4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine has a molecular weight of 343.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine is sourced from PubChem (CID 28664911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).