2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C11H15N6OP — CID 139455236

IUPAC2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(N)nn2ccc(N3CCC(P)C3)nc12
InChIInChI=1S/C11H15N6OP/c12-9-8(10(13)18)11-14-7(2-4-17(11)15-9)16-3-1-6(19)5-16/h2,4,6H,1,3,5,19H2,(H2,12,15)(H2,13,18)
InChIKeyMIBJUNAPNXWAFG-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.14
Rot. Bonds2

About 2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 139455236) has the molecular formula C11H15N6OP and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID139455236
Molecular FormulaC11H15N6OP
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC Name2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(N)nn2ccc(N3CCC(P)C3)nc12
InChIInChI=1S/C11H15N6OP/c12-9-8(10(13)18)11-14-7(2-4-17(11)15-9)16-3-1-6(19)5-16/h2,4,6H,1,3,5,19H2,(H2,12,15)(H2,13,18)
InChIKeyMIBJUNAPNXWAFG-UHFFFAOYSA-N
XLogP-0.14
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene
CID 142335517
2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480286
2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166763835
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
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449662
5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157038617
5-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175761276
ethyl 2-amino-5-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 134480577
2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480543
2-amino-5-[2-(5-fluoro-2-propylphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbothioamide
CID 139455205
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 139455236) is 2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1c(N)nn2ccc(N3CCC(P)C3)nc12.
What is the InChIKey of 2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MIBJUNAPNXWAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N6OP/c12-9-8(10(13)18)11-14-7(2-4-17(11)15-9)16-3-1-6(19)5-16/h2,4,6H,1,3,5,19H2,(H2,12,15)(H2,13,18).
What are the key properties of 2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 278.26 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 139455236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).