1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine

C15H21N3 — CID 43543366

IUPAC1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine
SMILESCCCC(Nc1cnn(CC)c1)c1ccccc1
InChIInChI=1S/C15H21N3/c1-3-8-15(13-9-6-5-7-10-13)17-14-11-16-18(4-2)12-14/h5-7,9-12,15,17H,3-4,8H2,1-2H3
InChIKeyKFCNFULLVPGBMG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.86
Rot. Bonds6

About 1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine

1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine (PubChem CID 43543366) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine
PubChem CID43543366
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine
SMILESCCCC(Nc1cnn(CC)c1)c1ccccc1
InChIInChI=1S/C15H21N3/c1-3-8-15(13-9-6-5-7-10-13)17-14-11-16-18(4-2)12-14/h5-7,9-12,15,17H,3-4,8H2,1-2H3
InChIKeyKFCNFULLVPGBMG-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine
CID 43543260
N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728872
1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine
CID 81472831
5-methyl-N-(1-phenylbutyl)pyridin-3-amine
CID 113354141
N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine
CID 166338665
N-(1-phenylbutyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-amine
CID 141400714
2-N,2-N-dimethyl-5-N-(1-phenylbutyl)pyridine-2,5-diamine
CID 43690418
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
3,5-difluoro-N-(1-phenylbutyl)aniline
CID 43095450
(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol
CID 103788757
2-[(1-ethylpyrazol-4-yl)amino]butanoic acid
CID 115352400

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine (CID 43543366) is 1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine is CCCC(Nc1cnn(CC)c1)c1ccccc1.
What is the InChIKey of 1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine?
The InChIKey is KFCNFULLVPGBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-8-15(13-9-6-5-7-10-13)17-14-11-16-18(4-2)12-14/h5-7,9-12,15,17H,3-4,8H2,1-2H3.
What are the key properties of 1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine?
1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine has a molecular weight of 243.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine is sourced from PubChem (CID 43543366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).