N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine

C16H25N5 — CID 95895793

IUPACN-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N(C)C[C@@]2(C)CCN(C)C2)n2nccc2n1
InChIInChI=1S/C16H25N5/c1-5-13-10-15(21-14(18-13)6-8-17-21)20(4)12-16(2)7-9-19(3)11-16/h6,8,10H,5,7,9,11-12H2,1-4H3/t16-/m0/s1
InChIKeyGJSBHGPGNXXYSS-INIZCTEOSA-N
MW287.41 g/mol
LogP2.07
Rot. Bonds4

About N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95895793) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95895793
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N(C)C[C@@]2(C)CCN(C)C2)n2nccc2n1
InChIInChI=1S/C16H25N5/c1-5-13-10-15(21-14(18-13)6-8-17-21)20(4)12-16(2)7-9-19(3)11-16/h6,8,10H,5,7,9,11-12H2,1-4H3/t16-/m0/s1
InChIKeyGJSBHGPGNXXYSS-INIZCTEOSA-N
XLogP2.07
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95895793) is N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(N(C)C[C@@]2(C)CCN(C)C2)n2nccc2n1.
What is the InChIKey of N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GJSBHGPGNXXYSS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N5/c1-5-13-10-15(21-14(18-13)6-8-17-21)20(4)12-16(2)7-9-19(3)11-16/h6,8,10H,5,7,9,11-12H2,1-4H3/t16-/m0/s1.
What are the key properties of N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 287.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95895793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).