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

C19H31N5 — CID 56901378

IUPACN,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(N(C)CC3CCN(C(C)C)C3)n2n1
InChIInChI=1S/C19H31N5/c1-13(2)17-10-19(24-18(20-17)9-15(5)21-24)22(6)11-16-7-8-23(12-16)14(3)4/h9-10,13-14,16H,7-8,11-12H2,1-6H3
InChIKeyKBDJQCXRWQSXFZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.33
Rot. Bonds5

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

N,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56901378) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is N,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56901378
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC NameN,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(N(C)CC3CCN(C(C)C)C3)n2n1
InChIInChI=1S/C19H31N5/c1-13(2)17-10-19(24-18(20-17)9-15(5)21-24)22(6)11-16-7-8-23(12-16)14(3)4/h9-10,13-14,16H,7-8,11-12H2,1-6H3
InChIKeyKBDJQCXRWQSXFZ-UHFFFAOYSA-N
XLogP3.33
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56901378) is N,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(C(C)C)cc(N(C)CC3CCN(C(C)C)C3)n2n1.
What is the InChIKey of N,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KBDJQCXRWQSXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-13(2)17-10-19(24-18(20-17)9-15(5)21-24)22(6)11-16-7-8-23(12-16)14(3)4/h9-10,13-14,16H,7-8,11-12H2,1-6H3.
What are the key properties of N,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
N,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 329.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56901378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).