N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine

C17H25N3 — CID 81024526

IUPACN-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1CC(CNCC)c1ccccc1
InChIInChI=1S/C17H25N3/c1-3-12-20-17(10-11-19-20)13-16(14-18-4-2)15-8-6-5-7-9-15/h5-11,16,18H,3-4,12-14H2,1-2H3
InChIKeyHQHCALBVPJNFLR-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.23
Rot. Bonds8

About N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine

N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine (PubChem CID 81024526) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine
PubChem CID81024526
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1CC(CNCC)c1ccccc1
InChIInChI=1S/C17H25N3/c1-3-12-20-17(10-11-19-20)13-16(14-18-4-2)15-8-6-5-7-9-15/h5-11,16,18H,3-4,12-14H2,1-2H3
InChIKeyHQHCALBVPJNFLR-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine
CID 81027473
N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 81027901
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024676
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 65429482
N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine
CID 64666450
N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 114554849
N-ethyl-2-phenyl-3-pyrimidin-5-ylpropan-1-amine
CID 81024667
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555084

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine (CID 81024526) is N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine is CCCn1nccc1CC(CNCC)c1ccccc1.
What is the InChIKey of N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine?
The InChIKey is HQHCALBVPJNFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-12-20-17(10-11-19-20)13-16(14-18-4-2)15-8-6-5-7-9-15/h5-11,16,18H,3-4,12-14H2,1-2H3.
What are the key properties of N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine?
N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 81024526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).