(2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide

C18H19N5O — CID 134802201

IUPAC(2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN1c1ccnc2ccnn12)c1ccccc1
InChIInChI=1S/C18H19N5O/c1-21(14-6-3-2-4-7-14)18(24)15-8-5-13-22(15)17-10-11-19-16-9-12-20-23(16)17/h2-4,6-7,9-12,15H,5,8,13H2,1H3/t15-/m0/s1
InChIKeyNKNRBDNLTUIRBH-HNNXBMFYSA-N
MW321.38 g/mol
LogP2.36
Rot. Bonds3

About (2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide

(2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide (PubChem CID 134802201) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide
PubChem CID134802201
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN1c1ccnc2ccnn12)c1ccccc1
InChIInChI=1S/C18H19N5O/c1-21(14-6-3-2-4-7-14)18(24)15-8-5-13-22(15)17-10-11-19-16-9-12-20-23(16)17/h2-4,6-7,9-12,15H,5,8,13H2,1H3/t15-/m0/s1
InChIKeyNKNRBDNLTUIRBH-HNNXBMFYSA-N
XLogP2.36
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide (CID 134802201) is (2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide is CN(C(=O)[C@@H]1CCCN1c1ccnc2ccnn12)c1ccccc1.
What is the InChIKey of (2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide?
The InChIKey is NKNRBDNLTUIRBH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-21(14-6-3-2-4-7-14)18(24)15-8-5-13-22(15)17-10-11-19-16-9-12-20-23(16)17/h2-4,6-7,9-12,15H,5,8,13H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide?
(2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-phenyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134802201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).