N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine

C18H27N3 — CID 81027901

IUPACN-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine
SMILESCCn1nccc1CC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C18H27N3/c1-4-21-18(10-11-20-21)12-17(14-19-13-15(2)3)16-8-6-5-7-9-16/h5-11,15,17,19H,4,12-14H2,1-3H3
InChIKeyLCMGDBUBHWMXKC-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.47
Rot. Bonds8

About N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine

N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine (PubChem CID 81027901) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine
PubChem CID81027901
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine
SMILESCCn1nccc1CC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C18H27N3/c1-4-21-18(10-11-20-21)12-17(14-19-13-15(2)3)16-8-6-5-7-9-16/h5-11,15,17,19H,4,12-14H2,1-3H3
InChIKeyLCMGDBUBHWMXKC-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine
CID 81024526
2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine
CID 81027473
N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 114667317
N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylpropan-1-amine
CID 64666450
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-1-amine
CID 81024756
3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024676
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine
CID 64503724

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine (CID 81027901) is N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine is CCn1nccc1CC(CNCC(C)C)c1ccccc1.
What is the InChIKey of N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine?
The InChIKey is LCMGDBUBHWMXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-21-18(10-11-20-21)12-17(14-19-13-15(2)3)16-8-6-5-7-9-16/h5-11,15,17,19H,4,12-14H2,1-3H3.
What are the key properties of N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine?
N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81027901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).