1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine

C21H26N4 — CID 10404674

IUPAC1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine
SMILESCCN(CC)CCn1nc(-c2ccccc2)c(N)c1-c1ccccc1
InChIInChI=1S/C21H26N4/c1-3-24(4-2)15-16-25-21(18-13-9-6-10-14-18)19(22)20(23-25)17-11-7-5-8-12-17/h5-14H,3-4,15-16,22H2,1-2H3
InChIKeyKFXFTJUGXMJABQ-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.14
Rot. Bonds7

About 1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine

1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine (PubChem CID 10404674) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine
PubChem CID10404674
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine
SMILESCCN(CC)CCn1nc(-c2ccccc2)c(N)c1-c1ccccc1
InChIInChI=1S/C21H26N4/c1-3-24(4-2)15-16-25-21(18-13-9-6-10-14-18)19(22)20(23-25)17-11-7-5-8-12-17/h5-14H,3-4,15-16,22H2,1-2H3
InChIKeyKFXFTJUGXMJABQ-UHFFFAOYSA-N
XLogP4.14
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine
CID 12819473
3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine
CID 10471976
N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride
CID 12819472
1-[2-(diethylamino)ethyl]indazol-3-amine
CID 107913543
3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine
CID 13409580
4-ethyl-1-methyl-3,5-diphenylpyrazole
CID 21441230
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride
CID 12819464
4,5-diphenyl-1-propylimidazole
CID 14950648
N',N'-diethyl-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 125114554
6-(3,4,5-triphenylpyrazol-1-yl)hexanoic acid
CID 15725723
1-ethyl-5-phenylpyrazol-4-amine
CID 105442691

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine (CID 10404674) is 1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine is CCN(CC)CCn1nc(-c2ccccc2)c(N)c1-c1ccccc1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine?
The InChIKey is KFXFTJUGXMJABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-3-24(4-2)15-16-25-21(18-13-9-6-10-14-18)19(22)20(23-25)17-11-7-5-8-12-17/h5-14H,3-4,15-16,22H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine?
1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine has a molecular weight of 334.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine is sourced from PubChem (CID 10404674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).