N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine

C19H29N3O — CID 56549576

IUPACN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine
SMILESCOc1c(C)cc(CN(C)CCCCCn2cccn2)cc1C
InChIInChI=1S/C19H29N3O/c1-16-13-18(14-17(2)19(16)23-4)15-21(3)10-6-5-7-11-22-12-8-9-20-22/h8-9,12-14H,5-7,10-11,15H2,1-4H3
InChIKeyGYKMJLFXQUDHSO-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.81
Rot. Bonds9

About N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine

N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine (PubChem CID 56549576) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine
PubChem CID56549576
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine
SMILESCOc1c(C)cc(CN(C)CCCCCn2cccn2)cc1C
InChIInChI=1S/C19H29N3O/c1-16-13-18(14-17(2)19(16)23-4)15-21(3)10-6-5-7-11-22-12-8-9-20-22/h8-9,12-14H,5-7,10-11,15H2,1-4H3
InChIKeyGYKMJLFXQUDHSO-UHFFFAOYSA-N
XLogP3.81
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202067
3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine
CID 170505889
N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
CID 77084100
N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide
CID 91838587
3-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]benzoic acid
CID 136550505
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227089
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine
CID 77095551
9-pyrazol-1-ylnonanoic acid;hydrate
CID 67940849
2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid
CID 91792545
1-pentylpyrazole;propane
CID 156859541
3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid
CID 122037230

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine?
The IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine (CID 56549576) is N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine?
The canonical SMILES for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine is COc1c(C)cc(CN(C)CCCCCn2cccn2)cc1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine?
The InChIKey is GYKMJLFXQUDHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16-13-18(14-17(2)19(16)23-4)15-21(3)10-6-5-7-11-22-12-8-9-20-22/h8-9,12-14H,5-7,10-11,15H2,1-4H3.
What are the key properties of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine?
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine has a molecular weight of 315.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine is sourced from PubChem (CID 56549576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).