7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H23N5O2 — CID 84593007

IUPAC7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)(C)C1CCCN1C(=O)c1ccnc2c(C(N)=O)cnn12
InChIInChI=1S/C17H23N5O2/c1-4-17(2,3)13-6-5-9-21(13)16(24)12-7-8-19-15-11(14(18)23)10-20-22(12)15/h7-8,10,13H,4-6,9H2,1-3H3,(H2,18,23)
InChIKeyGNHDLKHBUYQBNK-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.87
Rot. Bonds4

About 7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 84593007) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID84593007
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)(C)C1CCCN1C(=O)c1ccnc2c(C(N)=O)cnn12
InChIInChI=1S/C17H23N5O2/c1-4-17(2,3)13-6-5-9-21(13)16(24)12-7-8-19-15-11(14(18)23)10-20-22(12)15/h7-8,10,13H,4-6,9H2,1-3H3,(H2,18,23)
InChIKeyGNHDLKHBUYQBNK-UHFFFAOYSA-N
XLogP1.87
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 84593007) is 7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(C)(C)C1CCCN1C(=O)c1ccnc2c(C(N)=O)cnn12.
What is the InChIKey of 7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GNHDLKHBUYQBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-17(2,3)13-6-5-9-21(13)16(24)12-7-8-19-15-11(14(18)23)10-20-22(12)15/h7-8,10,13H,4-6,9H2,1-3H3,(H2,18,23).
What are the key properties of 7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methylbutan-2-yl)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 84593007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).