3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine

C16H21N3O — CID 106209304

IUPAC3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NC(C)c3cn[nH]c3)C2)cc1
InChIInChI=1S/C16H21N3O/c1-11(14-9-17-18-10-14)19-15-7-13(8-15)12-3-5-16(20-2)6-4-12/h3-6,9-11,13,15,19H,7-8H2,1-2H3,(H,17,18)
InChIKeyHDEKRTFKFDUUTI-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.02
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine

3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine (PubChem CID 106209304) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
PubChem CID106209304
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NC(C)c3cn[nH]c3)C2)cc1
InChIInChI=1S/C16H21N3O/c1-11(14-9-17-18-10-14)19-15-7-13(8-15)12-3-5-16(20-2)6-4-12/h3-6,9-11,13,15,19H,7-8H2,1-2H3,(H,17,18)
InChIKeyHDEKRTFKFDUUTI-UHFFFAOYSA-N
XLogP3.02
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 107167617
3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine
CID 106281880
7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103905252
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209383
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
3-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 60946183
N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 81395845
7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103905307
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine
CID 81356335

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine (CID 106209304) is 3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine is COc1ccc(C2CC(NC(C)c3cn[nH]c3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine?
The InChIKey is HDEKRTFKFDUUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(14-9-17-18-10-14)19-15-7-13(8-15)12-3-5-16(20-2)6-4-12/h3-6,9-11,13,15,19H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine?
3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 106209304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).