2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine

C16H23N3 — CID 62723308

IUPAC2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine
SMILESCCn1cc(CC(CC)(CN)c2ccccc2)cn1
InChIInChI=1S/C16H23N3/c1-3-16(13-17,15-8-6-5-7-9-15)10-14-11-18-19(4-2)12-14/h5-9,11-12H,3-4,10,13,17H2,1-2H3
InChIKeyKPFCVYHORUTBNR-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.75
Rot. Bonds6

About 2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine

2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine (PubChem CID 62723308) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine
PubChem CID62723308
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine
SMILESCCn1cc(CC(CC)(CN)c2ccccc2)cn1
InChIInChI=1S/C16H23N3/c1-3-16(13-17,15-8-6-5-7-9-15)10-14-11-18-19(4-2)12-14/h5-9,11-12H,3-4,10,13,17H2,1-2H3
InChIKeyKPFCVYHORUTBNR-UHFFFAOYSA-N
XLogP2.75
TPSA43.84 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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine
CID 62127656
2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine
CID 55106632
4-[3-bromo-2-(bromomethyl)-2-(4-methylphenyl)propyl]-1-ethylpyrazole
CID 79456530
1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol
CID 66037685
2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine
CID 55106585
2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523051
2-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450944
4-[3-chloro-2-(chloromethyl)-2-(3-methylphenyl)propyl]-1-ethylpyrazole
CID 79453485
4-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-1-ethylpyrazole
CID 79456415
2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
CID 62725691
2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine
CID 112567934
1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol
CID 63084667

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine (CID 62723308) is 2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine is CCn1cc(CC(CC)(CN)c2ccccc2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine?
The InChIKey is KPFCVYHORUTBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-16(13-17,15-8-6-5-7-9-15)10-14-11-18-19(4-2)12-14/h5-9,11-12H,3-4,10,13,17H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine?
2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine is sourced from PubChem (CID 62723308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).