1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine

C14H19N3O — CID 170888752

IUPAC1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C14H19N3O/c1-3-12(15)8-11-9-16-17-14(11)10-4-6-13(18-2)7-5-10/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyCKYHUGIJUQKALE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.37
Rot. Bonds5

About 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine

1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine (PubChem CID 170888752) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine
PubChem CID170888752
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C14H19N3O/c1-3-12(15)8-11-9-16-17-14(11)10-4-6-13(18-2)7-5-10/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyCKYHUGIJUQKALE-UHFFFAOYSA-N
XLogP2.37
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine
CID 143794069
2-amino-3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]propanoic acid
CID 170879716
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
CID 111425263
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988
5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole
CID 59743851
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62646611
N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine
CID 117209943
5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine
CID 75517162
1-[3-(4-methoxyphenyl)phenyl]butan-2-amine
CID 170888859
1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
CID 54930560
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine (CID 170888752) is 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine is CCC(N)Cc1cn[nH]c1-c1ccc(OC)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine?
The InChIKey is CKYHUGIJUQKALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-12(15)8-11-9-16-17-14(11)10-4-6-13(18-2)7-5-10/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17).
What are the key properties of 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine?
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 170888752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).