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

C16H24ClN3O — CID 71940325

IUPACN-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCOc1cccc(CNc2c(C)nn(C(C)C)c2C)c1.Cl
InChIInChI=1S/C16H23N3O.ClH/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;1H
InChIKeyNTIFNJRAMRCWIG-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.12
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride (PubChem CID 71940325) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
PubChem CID71940325
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCOc1cccc(CNc2c(C)nn(C(C)C)c2C)c1.Cl
InChIInChI=1S/C16H23N3O.ClH/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;1H
InChIKeyNTIFNJRAMRCWIG-UHFFFAOYSA-N
XLogP4.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-Aminoethyl)-3,5-diethyl-pyrazol-4-yl]oxybenzonitrile
CID 9921887
1-(3-Methoxy-benzyl)-1H-pyrazol-4-ylamine
CID 6485350
US10183913, Example 481
CID 56602155
US10183913, Example 330
CID 66665535
US10183913, Example 242
CID 135230799
US11312688, Example 400
CID 164607418
3-(2-Fluorophenyl)-2-[(3-methoxyphenyl)methyl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168296108
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-methoxybenzyl)acetamide
CID 2978791
1-[2-(4-Methoxyphenyl)ethyl]-3,5-dimethyl-4-nitropyrazole
CID 8487428
US10183913, Example 381
CID 56601944
US11576897, Example 292
CID 66665153
US10183913, Example 192
CID 66665432

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride (CID 71940325) is N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride is COc1cccc(CNc2c(C)nn(C(C)C)c2C)c1.Cl.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
The InChIKey is NTIFNJRAMRCWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.ClH/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;1H.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 4.12, 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;hydrochloride is sourced from PubChem (CID 71940325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).