4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C19H31N5O — CID 51105132

IUPAC4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C19H31N5O/c1-15-18(19(23(4)5)24(6)21-15)14-20-13-16-7-9-17(10-8-16)25-12-11-22(2)3/h7-10,20H,11-14H2,1-6H3
InChIKeyHSAZMTRKYBVRGL-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.02
Rot. Bonds9

About 4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 51105132) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID51105132
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C19H31N5O/c1-15-18(19(23(4)5)24(6)21-15)14-20-13-16-7-9-17(10-8-16)25-12-11-22(2)3/h7-10,20H,11-14H2,1-6H3
InChIKeyHSAZMTRKYBVRGL-UHFFFAOYSA-N
XLogP2.02
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 51105132) is 4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNCc1ccc(OCCN(C)C)cc1.
What is the InChIKey of 4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is HSAZMTRKYBVRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-15-18(19(23(4)5)24(6)21-15)14-20-13-16-7-9-17(10-8-16)25-12-11-22(2)3/h7-10,20H,11-14H2,1-6H3.
What are the key properties of 4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 345.49 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 51105132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).