N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide

C20H23N5O — CID 70787947

IUPACN-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2cc(-c3ccccc3)nc3cc(C)nn23)C1
InChIInChI=1S/C20H23N5O/c1-3-21-20(26)16-9-10-24(13-16)19-12-17(15-7-5-4-6-8-15)22-18-11-14(2)23-25(18)19/h4-8,11-12,16H,3,9-10,13H2,1-2H3,(H,21,26)
InChIKeyKSZXRQDNVRCRGS-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.67
Rot. Bonds4

About N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide

N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide (PubChem CID 70787947) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
PubChem CID70787947
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2cc(-c3ccccc3)nc3cc(C)nn23)C1
InChIInChI=1S/C20H23N5O/c1-3-21-20(26)16-9-10-24(13-16)19-12-17(15-7-5-4-6-8-15)22-18-11-14(2)23-25(18)19/h4-8,11-12,16H,3,9-10,13H2,1-2H3,(H,21,26)
InChIKeyKSZXRQDNVRCRGS-UHFFFAOYSA-N
XLogP2.67
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide (CID 70787947) is N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide is CCNC(=O)C1CCN(c2cc(-c3ccccc3)nc3cc(C)nn23)C1.
What is the InChIKey of N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide?
The InChIKey is KSZXRQDNVRCRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-21-20(26)16-9-10-24(13-16)19-12-17(15-7-5-4-6-8-15)22-18-11-14(2)23-25(18)19/h4-8,11-12,16H,3,9-10,13H2,1-2H3,(H,21,26).
What are the key properties of N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide?
N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 70787947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).