1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine

C16H23N3O — CID 19625975

IUPAC1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
SMILESCCCCn1nc(NCc2cccc(OC)c2)cc1C
InChIInChI=1S/C16H23N3O/c1-4-5-9-19-13(2)10-16(18-19)17-12-14-7-6-8-15(11-14)20-3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,17,18)
InChIKeyNYWXZIFJYOHVDM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.61
Rot. Bonds7

About 1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine

1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 19625975) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
PubChem CID19625975
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
SMILESCCCCn1nc(NCc2cccc(OC)c2)cc1C
InChIInChI=1S/C16H23N3O/c1-4-5-9-19-13(2)10-16(18-19)17-12-14-7-6-8-15(11-14)20-3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,17,18)
InChIKeyNYWXZIFJYOHVDM-UHFFFAOYSA-N
XLogP3.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 19625980
2-[[(1-butyl-5-methylpyrazol-3-yl)amino]methyl]phenol
CID 19627572
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38159279
N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126965644
[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266696
1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884458
1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine
CID 19626838
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 122174850
1-methoxy-3-nonadecylbenzene
CID 154507578

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine (CID 19625975) is 1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine is CCCCn1nc(NCc2cccc(OC)c2)cc1C.
What is the InChIKey of 1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is NYWXZIFJYOHVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-5-9-19-13(2)10-16(18-19)17-12-14-7-6-8-15(11-14)20-3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,17,18).
What are the key properties of 1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine?
1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 273.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 19625975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).