1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine

C19H29N3O — CID 138375374

IUPAC1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine
SMILESCCCCCCCn1nc(CNC)cc1OCc1ccccc1
InChIInChI=1S/C19H29N3O/c1-3-4-5-6-10-13-22-19(14-18(21-22)15-20-2)23-16-17-11-8-7-9-12-17/h7-9,11-12,14,20H,3-6,10,13,15-16H2,1-2H3
InChIKeyXOOXIPLRSXTQSG-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.15
Rot. Bonds11

About 1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine

1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine (PubChem CID 138375374) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine
PubChem CID138375374
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine
SMILESCCCCCCCn1nc(CNC)cc1OCc1ccccc1
InChIInChI=1S/C19H29N3O/c1-3-4-5-6-10-13-22-19(14-18(21-22)15-20-2)23-16-17-11-8-7-9-12-17/h7-9,11-12,14,20H,3-6,10,13,15-16H2,1-2H3
InChIKeyXOOXIPLRSXTQSG-UHFFFAOYSA-N
XLogP4.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
N-(2-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3662930
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
3,4-dihydro-2H-[1,3]oxazino[3,2-b]indazole
CID 13664293
3-(Cyclohexylmethoxy)-1-(cyclohexylmethyl)indazole
CID 76321622
US11576897, Example 20
CID 56600157
US11576897, Example 30
CID 56600544
US10183913, Example 31
CID 56600545
US10183913, Example 33
CID 56600546

Frequently Asked Questions

What is the IUPAC name of 1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine (CID 138375374) is 1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine is CCCCCCCn1nc(CNC)cc1OCc1ccccc1.
What is the InChIKey of 1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine?
The InChIKey is XOOXIPLRSXTQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-4-5-6-10-13-22-19(14-18(21-22)15-20-2)23-16-17-11-8-7-9-12-17/h7-9,11-12,14,20H,3-6,10,13,15-16H2,1-2H3.
What are the key properties of 1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine?
1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine has a molecular weight of 315.46 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-heptyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 138375374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).