N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine

C17H24N4 — CID 62904412

IUPACN-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NC2CCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C17H24N4/c1-14(2)21-13-17(10-18-21)19-16-8-9-20(12-16)11-15-6-4-3-5-7-15/h3-7,10,13-14,16,19H,8-9,11-12H2,1-2H3
InChIKeyDGSAHQCMXGSLOH-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.15
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine

N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 62904412) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine
PubChem CID62904412
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NC2CCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C17H24N4/c1-14(2)21-13-17(10-18-21)19-16-8-9-20(12-16)11-15-6-4-3-5-7-15/h3-7,10,13-14,16,19H,8-9,11-12H2,1-2H3
InChIKeyDGSAHQCMXGSLOH-UHFFFAOYSA-N
XLogP3.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine (CID 62904412) is N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine is CC(C)n1cc(NC2CCN(Cc3ccccc3)C2)cn1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is DGSAHQCMXGSLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14(2)21-13-17(10-18-21)19-16-8-9-20(12-16)11-15-6-4-3-5-7-15/h3-7,10,13-14,16,19H,8-9,11-12H2,1-2H3.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine?
N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 284.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62904412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).