N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine

C16H25N5 — CID 56895115

IUPACN,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine
SMILESCc1cc2nc(C(C)C)cc(N3CCC(N(C)C)C3)n2n1
InChIInChI=1S/C16H25N5/c1-11(2)14-9-16(20-7-6-13(10-20)19(4)5)21-15(17-14)8-12(3)18-21/h8-9,11,13H,6-7,10H2,1-5H3
InChIKeyBXPIUCSMXKEWSP-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.30
Rot. Bonds3

About N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine

N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine (PubChem CID 56895115) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine
PubChem CID56895115
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine
SMILESCc1cc2nc(C(C)C)cc(N3CCC(N(C)C)C3)n2n1
InChIInChI=1S/C16H25N5/c1-11(2)14-9-16(20-7-6-13(10-20)19(4)5)21-15(17-14)8-12(3)18-21/h8-9,11,13H,6-7,10H2,1-5H3
InChIKeyBXPIUCSMXKEWSP-UHFFFAOYSA-N
XLogP2.30
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine (CID 56895115) is N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine is Cc1cc2nc(C(C)C)cc(N3CCC(N(C)C)C3)n2n1.
What is the InChIKey of N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine?
The InChIKey is BXPIUCSMXKEWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-11(2)14-9-16(20-7-6-13(10-20)19(4)5)21-15(17-14)8-12(3)18-21/h8-9,11,13H,6-7,10H2,1-5H3.
What are the key properties of N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine?
N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine has a molecular weight of 287.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine is sourced from PubChem (CID 56895115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).