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

C19H30N4O — CID 51105101

IUPAC4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
SMILESCOCc1cccc(CNCc2c(C(C)C)nn(C)c2N(C)C)c1
InChIInChI=1S/C19H30N4O/c1-14(2)18-17(19(22(3)4)23(5)21-18)12-20-11-15-8-7-9-16(10-15)13-24-6/h7-10,14,20H,11-13H2,1-6H3
InChIKeyNDFHCMJBMSARAY-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.05
Rot. Bonds8

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

4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine (PubChem CID 51105101) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
PubChem CID51105101
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
SMILESCOCc1cccc(CNCc2c(C(C)C)nn(C)c2N(C)C)c1
InChIInChI=1S/C19H30N4O/c1-14(2)18-17(19(22(3)4)23(5)21-18)12-20-11-15-8-7-9-16(10-15)13-24-6/h7-10,14,20H,11-13H2,1-6H3
InChIKeyNDFHCMJBMSARAY-UHFFFAOYSA-N
XLogP3.05
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine with MolForge

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Related Compounds

2-[[5-(Dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 51104710
4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104863
4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104883
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 51105099
4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105100
4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105103
4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105132
2-[[5-(Dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol
CID 51105203
2-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol
CID 51105204
2-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(3-fluorophenyl)ethanol
CID 51105327
4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
CID 53539379
[4-[[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-2-fluorophenyl]methanol
CID 53539635

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine (CID 51105101) is 4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine is COCc1cccc(CNCc2c(C(C)C)nn(C)c2N(C)C)c1.
What is the InChIKey of 4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The InChIKey is NDFHCMJBMSARAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14(2)18-17(19(22(3)4)23(5)21-18)12-20-11-15-8-7-9-16(10-15)13-24-6/h7-10,14,20H,11-13H2,1-6H3.
What are the key properties of 4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine has a molecular weight of 330.48 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 51105101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).