2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine

C20H17N5 — CID 137444663

IUPAC2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine
SMILESCc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ncccn1
InChIInChI=1S/C20H17N5/c1-15-7-2-3-8-16(15)14-25-19(20-22-11-6-12-23-20)13-18(24-25)17-9-4-5-10-21-17/h2-13H,14H2,1H3
InChIKeyZYDVOOYEQFOBKS-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.76
Rot. Bonds4

About 2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine

2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine (PubChem CID 137444663) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine.

Molecular Properties

Compound Name2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine
PubChem CID137444663
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine
SMILESCc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ncccn1
InChIInChI=1S/C20H17N5/c1-15-7-2-3-8-16(15)14-25-19(20-22-11-6-12-23-20)13-18(24-25)17-9-4-5-10-21-17/h2-13H,14H2,1H3
InChIKeyZYDVOOYEQFOBKS-UHFFFAOYSA-N
XLogP3.76
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine?
The IUPAC name of 2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine (CID 137444663) is 2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine.
What is the SMILES notation for 2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine?
The canonical SMILES for 2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine is Cc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ncccn1.
What is the InChIKey of 2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine?
The InChIKey is ZYDVOOYEQFOBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-15-7-2-3-8-16(15)14-25-19(20-22-11-6-12-23-20)13-18(24-25)17-9-4-5-10-21-17/h2-13H,14H2,1H3.
What are the key properties of 2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine?
2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine has a molecular weight of 327.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine is sourced from PubChem (CID 137444663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).