N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C15H21N5O — CID 53171796

IUPACN-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(N2CCCC2)n2nccc2n1
InChIInChI=1S/C15H21N5O/c1-3-11(2)17-15(21)12-10-14(19-8-4-5-9-19)20-13(18-12)6-7-16-20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,21)
InChIKeySUQMSSWZNVQIIF-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.86
Rot. Bonds4

About N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53171796) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53171796
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(N2CCCC2)n2nccc2n1
InChIInChI=1S/C15H21N5O/c1-3-11(2)17-15(21)12-10-14(19-8-4-5-9-19)20-13(18-12)6-7-16-20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,21)
InChIKeySUQMSSWZNVQIIF-UHFFFAOYSA-N
XLogP1.86
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53171796) is N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CCC(C)NC(=O)c1cc(N2CCCC2)n2nccc2n1.
What is the InChIKey of N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is SUQMSSWZNVQIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-11(2)17-15(21)12-10-14(19-8-4-5-9-19)20-13(18-12)6-7-16-20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,21).
What are the key properties of N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53171796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).