N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine

C17H25N3 — CID 43751945

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine
SMILESCc1c(C(C)NC(C)CCc2ccccc2)cnn1C
InChIInChI=1S/C17H25N3/c1-13(10-11-16-8-6-5-7-9-16)19-14(2)17-12-18-20(4)15(17)3/h5-9,12-14,19H,10-11H2,1-4H3
InChIKeyHNQIOGGFHHMUNE-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.40
Rot. Bonds6

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine (PubChem CID 43751945) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine
PubChem CID43751945
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine
SMILESCc1c(C(C)NC(C)CCc2ccccc2)cnn1C
InChIInChI=1S/C17H25N3/c1-13(10-11-16-8-6-5-7-9-16)19-14(2)17-12-18-20(4)15(17)3/h5-9,12-14,19H,10-11H2,1-4H3
InChIKeyHNQIOGGFHHMUNE-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 61169749
(3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
CID 94800927
(3R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
CID 94800929
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 103910362
1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751951
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43078952
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
CID 43751933
1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 103924707
4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 43504749

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine (CID 43751945) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine is Cc1c(C(C)NC(C)CCc2ccccc2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine?
The InChIKey is HNQIOGGFHHMUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(10-11-16-8-6-5-7-9-16)19-14(2)17-12-18-20(4)15(17)3/h5-9,12-14,19H,10-11H2,1-4H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 43751945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).