7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H17N5O3 — CID 139002261

IUPAC7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=CCOC1CCN(C(=O)c2ccnc3c(C(N)=O)cnn23)C1
InChIInChI=1S/C15H17N5O3/c1-2-7-23-10-4-6-19(9-10)15(22)12-3-5-17-14-11(13(16)21)8-18-20(12)14/h2-3,5,8,10H,1,4,6-7,9H2,(H2,16,21)
InChIKeyITNCGVLGBKUTQY-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.25
Rot. Bonds5

About 7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 139002261) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID139002261
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=CCOC1CCN(C(=O)c2ccnc3c(C(N)=O)cnn23)C1
InChIInChI=1S/C15H17N5O3/c1-2-7-23-10-4-6-19(9-10)15(22)12-3-5-17-14-11(13(16)21)8-18-20(12)14/h2-3,5,8,10H,1,4,6-7,9H2,(H2,16,21)
InChIKeyITNCGVLGBKUTQY-UHFFFAOYSA-N
XLogP0.25
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide
CID 133465341
7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 84595221
7-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175662362
phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone
CID 42656385
3-prop-2-enoxypiperidine-1-carboxamide
CID 70254738
ethyl (3S)-1-[7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxylate
CID 93003362
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129452854
7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 176884788
tert-butyl 3-prop-2-enoxypyrrolidine-1-carboxylate;ethane
CID 145330639
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855
(3-hydroxypiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 110900762
2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056069

Frequently Asked Questions

What is the IUPAC name of 7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 139002261) is 7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=CCOC1CCN(C(=O)c2ccnc3c(C(N)=O)cnn23)C1.
What is the InChIKey of 7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ITNCGVLGBKUTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-2-7-23-10-4-6-19(9-10)15(22)12-3-5-17-14-11(13(16)21)8-18-20(12)14/h2-3,5,8,10H,1,4,6-7,9H2,(H2,16,21).
What are the key properties of 7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-prop-2-enoxypyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 139002261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).