1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine

C15H20N4 — CID 43150729

IUPAC1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine
SMILESCc1cnn(C2CCN(Cc3ccccc3)C2)c1N
InChIInChI=1S/C15H20N4/c1-12-9-17-19(15(12)16)14-7-8-18(11-14)10-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11,16H2,1H3
InChIKeyCBPDXTCPMALMFD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.22
Rot. Bonds3

About 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine

1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine (PubChem CID 43150729) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine
PubChem CID43150729
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine
SMILESCc1cnn(C2CCN(Cc3ccccc3)C2)c1N
InChIInChI=1S/C15H20N4/c1-12-9-17-19(15(12)16)14-7-8-18(11-14)10-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11,16H2,1H3
InChIKeyCBPDXTCPMALMFD-UHFFFAOYSA-N
XLogP2.22
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine (CID 43150729) is 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine is Cc1cnn(C2CCN(Cc3ccccc3)C2)c1N.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine?
The InChIKey is CBPDXTCPMALMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-9-17-19(15(12)16)14-7-8-18(11-14)10-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11,16H2,1H3.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine?
1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine has a molecular weight of 256.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine is sourced from PubChem (CID 43150729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).