4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine

C20H33N5 — CID 51104808

IUPAC4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCc1ccccc1CN(C)C
InChIInChI=1S/C20H33N5/c1-15(2)19-18(20(24(5)6)25(7)22-19)13-21-12-16-10-8-9-11-17(16)14-23(3)4/h8-11,15,21H,12-14H2,1-7H3
InChIKeyOKKWQUXZCNPEMJ-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.96
Rot. Bonds8

About 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine

4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine (PubChem CID 51104808) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
PubChem CID51104808
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCc1ccccc1CN(C)C
InChIInChI=1S/C20H33N5/c1-15(2)19-18(20(24(5)6)25(7)22-19)13-21-12-16-10-8-9-11-17(16)14-23(3)4/h8-11,15,21H,12-14H2,1-7H3
InChIKeyOKKWQUXZCNPEMJ-UHFFFAOYSA-N
XLogP2.96
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine (CID 51104808) is 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine is CC(C)c1nn(C)c(N(C)C)c1CNCc1ccccc1CN(C)C.
What is the InChIKey of 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The InChIKey is OKKWQUXZCNPEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-15(2)19-18(20(24(5)6)25(7)22-19)13-21-12-16-10-8-9-11-17(16)14-23(3)4/h8-11,15,21H,12-14H2,1-7H3.
What are the key properties of 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine has a molecular weight of 343.52 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 51104808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).