5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine

C14H19N5 — CID 146209357

IUPAC5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine
SMILESC=C(CC)C1CCCN1c1ccn2ncc(N)c2n1
InChIInChI=1S/C14H19N5/c1-3-10(2)12-5-4-7-18(12)13-6-8-19-14(17-13)11(15)9-16-19/h6,8-9,12H,2-5,7,15H2,1H3
InChIKeyABUCPQGLFCPICN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.25
Rot. Bonds3

About 5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine

5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 146209357) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound Name5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID146209357
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine
SMILESC=C(CC)C1CCCN1c1ccn2ncc(N)c2n1
InChIInChI=1S/C14H19N5/c1-3-10(2)12-5-4-7-18(12)13-6-8-19-14(17-13)11(15)9-16-19/h6,8-9,12H,2-5,7,15H2,1H3
InChIKeyABUCPQGLFCPICN-UHFFFAOYSA-N
XLogP2.25
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pyrazolo(1,5-a)pyrimidin-6-amine
CID 25247836
9-Decyl-6-pyrazol-1-ylpurine
CID 118709433
Pyrazolo[1,5-a]pyrimidin-3-amine
CID 21192071
5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine
CID 58611206
N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 91447993
5-Pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 129230006
N,N-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 176141985
N-pyrazolo[1,5-a]pyrimidin-3-ylpyrrolidine-1-carboxamide
CID 176141987
3-Pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 176141998
N,N-dimethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142001
3-N,3-N,5-N,5-N-tetramethylpyrazolo[1,5-a]pyrimidine-3,5-diamine
CID 176142004
5-Piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142005

Frequently Asked Questions

What is the IUPAC name of 5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of 5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine (CID 146209357) is 5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for 5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for 5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine is C=C(CC)C1CCCN1c1ccn2ncc(N)c2n1.
What is the InChIKey of 5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is ABUCPQGLFCPICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-10(2)12-5-4-7-18(12)13-6-8-19-14(17-13)11(15)9-16-19/h6,8-9,12H,2-5,7,15H2,1H3.
What are the key properties of 5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine?
5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine is sourced from PubChem (CID 146209357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).