4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine

C14H27N5 — CID 63782929

IUPAC4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC2CCN(C)C2)c1CCN
InChIInChI=1S/C14H27N5/c1-11-13(5-7-15)14(19(4)16-11)18(3)10-12-6-8-17(2)9-12/h12H,5-10,15H2,1-4H3
InChIKeyUSIIBPDXIKEWKH-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.62
Rot. Bonds5

About 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine

4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine (PubChem CID 63782929) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
PubChem CID63782929
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC2CCN(C)C2)c1CCN
InChIInChI=1S/C14H27N5/c1-11-13(5-7-15)14(19(4)16-11)18(3)10-12-6-8-17(2)9-12/h12H,5-10,15H2,1-4H3
InChIKeyUSIIBPDXIKEWKH-UHFFFAOYSA-N
XLogP0.62
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine (CID 63782929) is 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)CC2CCN(C)C2)c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine?
The InChIKey is USIIBPDXIKEWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-11-13(5-7-15)14(19(4)16-11)18(3)10-12-6-8-17(2)9-12/h12H,5-10,15H2,1-4H3.
What are the key properties of 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine?
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine has a molecular weight of 265.40 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 63782929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).