2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H18N6O3 — CID 166763835

IUPAC2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(N3CCCC3)nc2c1C(=O)NOCCO
InChIInChI=1S/C13H18N6O3/c14-11-10(13(21)17-22-8-7-20)12-15-9(3-6-19(12)16-11)18-4-1-2-5-18/h3,6,20H,1-2,4-5,7-8H2,(H2,14,16)(H,17,21)
InChIKeyUHDPNNFNWIHZHE-UHFFFAOYSA-N
MW306.33 g/mol
LogP-0.43
Rot. Bonds5

About 2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166763835) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166763835
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC Name2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(N3CCCC3)nc2c1C(=O)NOCCO
InChIInChI=1S/C13H18N6O3/c14-11-10(13(21)17-22-8-7-20)12-15-9(3-6-19(12)16-11)18-4-1-2-5-18/h3,6,20H,1-2,4-5,7-8H2,(H2,14,16)(H,17,21)
InChIKeyUHDPNNFNWIHZHE-UHFFFAOYSA-N
XLogP-0.43
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480286
2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene
CID 142335517
2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139455236
N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134386392
acetylene;ethyl 5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589568
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449642
2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480328
2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480543
1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 170379383
fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 166763914
1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 167251698
tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate
CID 150003541

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166763835) is 2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(N3CCCC3)nc2c1C(=O)NOCCO.
What is the InChIKey of 2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UHDPNNFNWIHZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c14-11-10(13(21)17-22-8-7-20)12-15-9(3-6-19(12)16-11)18-4-1-2-5-18/h3,6,20H,1-2,4-5,7-8H2,(H2,14,16)(H,17,21).
What are the key properties of 2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 306.33 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166763835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).