N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine

C17H26N4 — CID 28664920

IUPACN-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCCN(CC)c1ccc(CNc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H26N4/c1-6-21(7-2)16-10-8-15(9-11-16)12-18-17-13(3)19-20(5)14(17)4/h8-11,18H,6-7,12H2,1-5H3
InChIKeyQDVDMZQKMKEEPF-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.50
Rot. Bonds6

About N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine

N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 28664920) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID28664920
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCCN(CC)c1ccc(CNc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H26N4/c1-6-21(7-2)16-10-8-15(9-11-16)12-18-17-13(3)19-20(5)14(17)4/h8-11,18H,6-7,12H2,1-5H3
InChIKeyQDVDMZQKMKEEPF-UHFFFAOYSA-N
XLogP3.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28554082
N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664301
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine
CID 43768843
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340
methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate
CID 28664573
2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide
CID 28664404
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine
CID 102909317
2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
CID 28664303
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine (CID 28664920) is N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine is CCN(CC)c1ccc(CNc2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is QDVDMZQKMKEEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-6-21(7-2)16-10-8-15(9-11-16)12-18-17-13(3)19-20(5)14(17)4/h8-11,18H,6-7,12H2,1-5H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine?
N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 286.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 28664920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).