(1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

C14H17N5O — CID 118740310

IUPAC(1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccnc(C2CCN(C(=O)c3cnn(C)c3)C2)n1
InChIInChI=1S/C14H17N5O/c1-10-3-5-15-13(17-10)11-4-6-19(9-11)14(20)12-7-16-18(2)8-12/h3,5,7-8,11H,4,6,9H2,1-2H3
InChIKeyVDARRZFGPVGYOA-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.15
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 118740310) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID118740310
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccnc(C2CCN(C(=O)c3cnn(C)c3)C2)n1
InChIInChI=1S/C14H17N5O/c1-10-3-5-15-13(17-10)11-4-6-19(9-11)14(20)12-7-16-18(2)8-12/h3,5,7-8,11H,4,6,9H2,1-2H3
InChIKeyVDARRZFGPVGYOA-UHFFFAOYSA-N
XLogP1.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone (CID 118740310) is (1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone is Cc1ccnc(C2CCN(C(=O)c3cnn(C)c3)C2)n1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is VDARRZFGPVGYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-3-5-15-13(17-10)11-4-6-19(9-11)14(20)12-7-16-18(2)8-12/h3,5,7-8,11H,4,6,9H2,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 271.32 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118740310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).