1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine

C16H21N3O2 — CID 141333156

IUPAC1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine
SMILESCOc1ccc(Cn2cc(NC3CCOCC3)cn2)cc1
InChIInChI=1S/C16H21N3O2/c1-20-16-4-2-13(3-5-16)11-19-12-15(10-17-19)18-14-6-8-21-9-7-14/h2-5,10,12,14,18H,6-9,11H2,1H3
InChIKeyHQZONXQOKCFWRE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.53
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine

1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine (PubChem CID 141333156) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine
PubChem CID141333156
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine
SMILESCOc1ccc(Cn2cc(NC3CCOCC3)cn2)cc1
InChIInChI=1S/C16H21N3O2/c1-20-16-4-2-13(3-5-16)11-19-12-15(10-17-19)18-14-6-8-21-9-7-14/h2-5,10,12,14,18H,6-9,11H2,1H3
InChIKeyHQZONXQOKCFWRE-UHFFFAOYSA-N
XLogP2.53
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine
CID 97325385
1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
1-benzyl-N-cycloheptylpyrazol-4-amine
CID 60931271
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 124855487
4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 82539345
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745484
1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine
CID 115777715
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65082002
1-benzyl-N-(3-ethylcyclopentyl)pyrazol-4-amine
CID 64501748
[5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone
CID 72927383
4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoylamino]butanoic acid
CID 122022440

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine (CID 141333156) is 1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine is COc1ccc(Cn2cc(NC3CCOCC3)cn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine?
The InChIKey is HQZONXQOKCFWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-16-4-2-13(3-5-16)11-19-12-15(10-17-19)18-14-6-8-21-9-7-14/h2-5,10,12,14,18H,6-9,11H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine?
1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine is sourced from PubChem (CID 141333156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).