N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C16H23N3O — CID 71940326

IUPACN-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCOc1cccc(CNc2c(C)nn(C(C)C)c2C)c1
InChIInChI=1S/C16H23N3O/c1-11(2)19-13(4)16(12(3)18-19)17-10-14-7-6-8-15(9-14)20-5/h6-9,11,17H,10H2,1-5H3
InChIKeyBHXKHQSXZQOICN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.70
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 71940326) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID71940326
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCOc1cccc(CNc2c(C)nn(C(C)C)c2C)c1
InChIInChI=1S/C16H23N3O/c1-11(2)19-13(4)16(12(3)18-19)17-10-14-7-6-8-15(9-14)20-5/h6-9,11,17H,10H2,1-5H3
InChIKeyBHXKHQSXZQOICN-UHFFFAOYSA-N
XLogP3.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Isopropyl-3-(4-methoxy-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11358099
(2S,3S)-N-[[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 10621261
3-[1-(2-Aminoethyl)-3,5-diethyl-pyrazol-4-yl]oxybenzonitrile
CID 9921887
1-(3-Methoxy-benzyl)-1H-pyrazol-4-ylamine
CID 6485350
US11576897, Example 20
CID 56600157
US10183913, Example 269
CID 56601153
US10183913, Example 258
CID 56601749
US10183913, Example 481
CID 56602155
US11576897, Example 295
CID 66664957
US11576897, Example 293
CID 66665530
US10183913, Example 330
CID 66665535
US11312688, Example 351
CID 66665537

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 71940326) is N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is COc1cccc(CNc2c(C)nn(C(C)C)c2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is BHXKHQSXZQOICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)19-13(4)16(12(3)18-19)17-10-14-7-6-8-15(9-14)20-5/h6-9,11,17H,10H2,1-5H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 71940326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).