N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine

C16H23N3 — CID 63012963

IUPACN-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine
SMILESCCn1cc(C(C)NC(C)Cc2ccccc2)cn1
InChIInChI=1S/C16H23N3/c1-4-19-12-16(11-17-19)14(3)18-13(2)10-15-8-6-5-7-9-15/h5-9,11-14,18H,4,10H2,1-3H3
InChIKeySJXJHBNSWTWLRR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.18
Rot. Bonds6

About N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine

N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine (PubChem CID 63012963) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine
PubChem CID63012963
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine
SMILESCCn1cc(C(C)NC(C)Cc2ccccc2)cn1
InChIInChI=1S/C16H23N3/c1-4-19-12-16(11-17-19)14(3)18-13(2)10-15-8-6-5-7-9-15/h5-9,11-14,18H,4,10H2,1-3H3
InChIKeySJXJHBNSWTWLRR-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol
CID 103788757
3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 81338161
4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122016796
(1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404494
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650
(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360333
2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63261204
1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine
CID 81472831
N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 104694884
(1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine
CID 97108308
[1-(1-ethylpyrazol-4-yl)-4-phenylbutyl]hydrazine
CID 105289896
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine (CID 63012963) is N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine is CCn1cc(C(C)NC(C)Cc2ccccc2)cn1.
What is the InChIKey of N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine?
The InChIKey is SJXJHBNSWTWLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-19-12-16(11-17-19)14(3)18-13(2)10-15-8-6-5-7-9-15/h5-9,11-14,18H,4,10H2,1-3H3.
What are the key properties of N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine?
N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 63012963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).