N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine

C17H25N3 — CID 115885307

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
SMILESCCc1nn(C)cc1CNC(C)CCc1ccccc1
InChIInChI=1S/C17H25N3/c1-4-17-16(13-20(3)19-17)12-18-14(2)10-11-15-8-6-5-7-9-15/h5-9,13-14,18H,4,10-12H2,1-3H3
InChIKeyXWOUHLXRPVICNX-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.09
Rot. Bonds7

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine (PubChem CID 115885307) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
PubChem CID115885307
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
SMILESCCc1nn(C)cc1CNC(C)CCc1ccccc1
InChIInChI=1S/C17H25N3/c1-4-17-16(13-20(3)19-17)12-18-14(2)10-11-15-8-6-5-7-9-15/h5-9,13-14,18H,4,10-12H2,1-3H3
InChIKeyXWOUHLXRPVICNX-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115885755
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692
4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 112671485
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103898846
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 115885602
N-[(1-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 62757202
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 112549539
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 103893916
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 102810428
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
(2S)-N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124830978

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine (CID 115885307) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine is CCc1nn(C)cc1CNC(C)CCc1ccccc1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine?
The InChIKey is XWOUHLXRPVICNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-17-16(13-20(3)19-17)12-18-14(2)10-11-15-8-6-5-7-9-15/h5-9,13-14,18H,4,10-12H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 115885307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).