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

C16H23N3 — CID 95607721

IUPAC(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
SMILESCc1cnn(CCN[C@@H](C)CCc2ccccc2)c1
InChIInChI=1S/C16H23N3/c1-14-12-18-19(13-14)11-10-17-15(2)8-9-16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11H2,1-2H3/t15-/m0/s1
InChIKeyYUQWACLTENNRPL-HNNXBMFYSA-N
MW257.38 g/mol
LogP2.80
Rot. Bonds7

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

(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine (PubChem CID 95607721) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
PubChem CID95607721
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
SMILESCc1cnn(CCN[C@@H](C)CCc2ccccc2)c1
InChIInChI=1S/C16H23N3/c1-14-12-18-19(13-14)11-10-17-15(2)8-9-16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11H2,1-2H3/t15-/m0/s1
InChIKeyYUQWACLTENNRPL-HNNXBMFYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine
CID 103871923
4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol
CID 104861935
1-ethyl-2-[2-(4-methylpyrazol-1-yl)ethyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111761600
4-[2-(4-methylpyrazol-1-yl)ethylamino]pentan-1-ol
CID 115972661
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 61459848
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-phenylprop-2-yn-1-amine
CID 103529718
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 114130254
1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
CID 43729083
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104626268

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine?
The IUPAC name of (2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine (CID 95607721) is (2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine.
What is the SMILES notation for (2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine?
The canonical SMILES for (2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine is Cc1cnn(CCN[C@@H](C)CCc2ccccc2)c1.
What is the InChIKey of (2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine?
The InChIKey is YUQWACLTENNRPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3/c1-14-12-18-19(13-14)11-10-17-15(2)8-9-16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine?
(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 95607721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).