3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine

C22H27N3 — CID 13409580

IUPAC3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H27N3/c1-3-24(4-2)16-11-17-25-22(20-14-9-6-10-15-20)21(18-23-25)19-12-7-5-8-13-19/h5-10,12-15,18H,3-4,11,16-17H2,1-2H3
InChIKeyKTXVRLGUTDJNAV-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.95
Rot. Bonds8

About 3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine

3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine (PubChem CID 13409580) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine
PubChem CID13409580
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H27N3/c1-3-24(4-2)16-11-17-25-22(20-14-9-6-10-15-20)21(18-23-25)19-12-7-5-8-13-19/h5-10,12-15,18H,3-4,11,16-17H2,1-2H3
InChIKeyKTXVRLGUTDJNAV-UHFFFAOYSA-N
XLogP4.95
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane
CID 91106289
(E)-but-2-enedioic acid;N-[3-(diethylamino)propyl]-2-(4,5-diphenylpyrazol-1-yl)-N-methylacetamide
CID 14699592
9-(4,5-diphenylpyrazol-1-yl)nonanoic acid
CID 10452166
methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate
CID 14723696
1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine
CID 10404674
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
2-(chloromethyl)-3-[3-(diethylamino)propyl]quinazolin-4-one
CID 61064400
2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide
CID 14699563
(1-methyl-4-phenylpyrazol-5-yl)methanol
CID 83383743
1-ethyl-5-phenylpyrazol-4-amine
CID 105442691
N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine
CID 12819473

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine (CID 13409580) is 3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine is CCN(CC)CCCn1ncc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine?
The InChIKey is KTXVRLGUTDJNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-3-24(4-2)16-11-17-25-22(20-14-9-6-10-15-20)21(18-23-25)19-12-7-5-8-13-19/h5-10,12-15,18H,3-4,11,16-17H2,1-2H3.
What are the key properties of 3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine?
3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine has a molecular weight of 333.48 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 13409580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).