N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide

C20H23N5O — CID 70787353

IUPACN-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(-c3ccccc3)nc3c(C)c(C)nn23)C1
InChIInChI=1S/C20H23N5O/c1-13-14(2)23-25-19(24-10-9-17(12-24)21-15(3)26)11-18(22-20(13)25)16-7-5-4-6-8-16/h4-8,11,17H,9-10,12H2,1-3H3,(H,21,26)
InChIKeyKVPIPUAHBINCRT-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.73
Rot. Bonds3

About N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide

N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide (PubChem CID 70787353) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide
PubChem CID70787353
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(-c3ccccc3)nc3c(C)c(C)nn23)C1
InChIInChI=1S/C20H23N5O/c1-13-14(2)23-25-19(24-10-9-17(12-24)21-15(3)26)11-18(22-20(13)25)16-7-5-4-6-8-16/h4-8,11,17H,9-10,12H2,1-3H3,(H,21,26)
InChIKeyKVPIPUAHBINCRT-UHFFFAOYSA-N
XLogP2.73
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide 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 N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide (CID 70787353) is N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2cc(-c3ccccc3)nc3c(C)c(C)nn23)C1.
What is the InChIKey of N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is KVPIPUAHBINCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-14(2)23-25-19(24-10-9-17(12-24)21-15(3)26)11-18(22-20(13)25)16-7-5-4-6-8-16/h4-8,11,17H,9-10,12H2,1-3H3,(H,21,26).
What are the key properties of N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide?
N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70787353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).