2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine

C18H22N6 — CID 50972341

IUPAC2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
SMILESCc1cc(C)n(C2CCN(Cc3cccn3-c3ncccn3)C2)n1
InChIInChI=1S/C18H22N6/c1-14-11-15(2)24(21-14)17-6-10-22(13-17)12-16-5-3-9-23(16)18-19-7-4-8-20-18/h3-5,7-9,11,17H,6,10,12-13H2,1-2H3
InChIKeyKTJWRQMYCMNJBY-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.53
Rot. Bonds4

About 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine

2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine (PubChem CID 50972341) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
PubChem CID50972341
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
SMILESCc1cc(C)n(C2CCN(Cc3cccn3-c3ncccn3)C2)n1
InChIInChI=1S/C18H22N6/c1-14-11-15(2)24(21-14)17-6-10-22(13-17)12-16-5-3-9-23(16)18-19-7-4-8-20-18/h3-5,7-9,11,17H,6,10,12-13H2,1-2H3
InChIKeyKTJWRQMYCMNJBY-UHFFFAOYSA-N
XLogP2.53
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine?
The IUPAC name of 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine (CID 50972341) is 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine.
What is the SMILES notation for 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine?
The canonical SMILES for 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine is Cc1cc(C)n(C2CCN(Cc3cccn3-c3ncccn3)C2)n1.
What is the InChIKey of 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine?
The InChIKey is KTJWRQMYCMNJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-14-11-15(2)24(21-14)17-6-10-22(13-17)12-16-5-3-9-23(16)18-19-7-4-8-20-18/h3-5,7-9,11,17H,6,10,12-13H2,1-2H3.
What are the key properties of 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine?
2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine has a molecular weight of 322.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine is sourced from PubChem (CID 50972341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).