N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine

C16H23N3 — CID 106757786

IUPACN-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
SMILESCC(CCNC(C)c1ccnn1C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-13(15-7-5-4-6-8-15)9-11-17-14(2)16-10-12-18-19(16)3/h4-8,10,12-14,17H,9,11H2,1-3H3
InChIKeyWIIBRCZQTSXGRO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.26
Rot. Bonds6

About N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine

N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine (PubChem CID 106757786) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
PubChem CID106757786
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
SMILESCC(CCNC(C)c1ccnn1C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-13(15-7-5-4-6-8-15)9-11-17-14(2)16-10-12-18-19(16)3/h4-8,10,12-14,17H,9,11H2,1-3H3
InChIKeyWIIBRCZQTSXGRO-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
CID 81019413
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
N-[(2-methylphenyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757542
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 106757769
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine
CID 106758084
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide
CID 107093548
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine (CID 106757786) is N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine is CC(CCNC(C)c1ccnn1C)c1ccccc1.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine?
The InChIKey is WIIBRCZQTSXGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(15-7-5-4-6-8-15)9-11-17-14(2)16-10-12-18-19(16)3/h4-8,10,12-14,17H,9,11H2,1-3H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine?
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine is sourced from PubChem (CID 106757786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).