1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine

C14H19N3O — CID 55015477

IUPAC1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine
SMILESCCC(N)C(c1ccc(OC)cc1)n1cccn1
InChIInChI=1S/C14H19N3O/c1-3-13(15)14(17-10-4-9-16-17)11-5-7-12(18-2)8-6-11/h4-10,13-14H,3,15H2,1-2H3
InChIKeyNPVNQUGMPLRXBH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.22
Rot. Bonds5

About 1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine

1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine (PubChem CID 55015477) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine
PubChem CID55015477
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine
SMILESCCC(N)C(c1ccc(OC)cc1)n1cccn1
InChIInChI=1S/C14H19N3O/c1-3-13(15)14(17-10-4-9-16-17)11-5-7-12(18-2)8-6-11/h4-10,13-14H,3,15H2,1-2H3
InChIKeyNPVNQUGMPLRXBH-UHFFFAOYSA-N
XLogP2.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(4-methoxyphenyl)butyl]-3-methylpyrrolidin-3-ol
CID 103355454
(3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one
CID 102125729
2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine
CID 115038406
1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine
CID 43749281
diethyl 2-[phenyl(pyrazol-1-yl)methyl]propanedioate
CID 12581035
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one
CID 62849597
1-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 55016107
1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55016003
2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine
CID 68594273
[(1R,2R)-1-(4-methoxyphenyl)-2-pyrazol-1-ylpropyl] 4-ethoxybutanoate
CID 95291315

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine (CID 55015477) is 1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine is CCC(N)C(c1ccc(OC)cc1)n1cccn1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine?
The InChIKey is NPVNQUGMPLRXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-13(15)14(17-10-4-9-16-17)11-5-7-12(18-2)8-6-11/h4-10,13-14H,3,15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine?
1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 55015477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).