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

C14H22N4O — CID 55235606

IUPAC4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine
SMILESCc1ccc(CN(C)c2c(CCN)c(C)nn2C)o1
InChIInChI=1S/C14H22N4O/c1-10-5-6-12(19-10)9-17(3)14-13(7-8-15)11(2)16-18(14)4/h5-6H,7-9,15H2,1-4H3
InChIKeyHRGVQCATZWOHPD-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.77
Rot. Bonds5

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

4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine (PubChem CID 55235606) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine
PubChem CID55235606
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine
SMILESCc1ccc(CN(C)c2c(CCN)c(C)nn2C)o1
InChIInChI=1S/C14H22N4O/c1-10-5-6-12(19-10)9-17(3)14-13(7-8-15)11(2)16-18(14)4/h5-6H,7-9,15H2,1-4H3
InChIKeyHRGVQCATZWOHPD-UHFFFAOYSA-N
XLogP1.77
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.77
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-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine (CID 55235606) is 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine is Cc1ccc(CN(C)c2c(CCN)c(C)nn2C)o1.
What is the InChIKey of 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine?
The InChIKey is HRGVQCATZWOHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-5-6-12(19-10)9-17(3)14-13(7-8-15)11(2)16-18(14)4/h5-6H,7-9,15H2,1-4H3.
What are the key properties of 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine?
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine has a molecular weight of 262.36 g/mol, XLogP of 1.77, 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-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 55235606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).