N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine

C19H28N4O2 — CID 91763516

IUPACN-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCOc1ccc(-n2cccn2)c(CN(C)CC(C)N2CCOCC2)c1
InChIInChI=1S/C19H28N4O2/c1-16(22-9-11-25-12-10-22)14-21(2)15-17-13-18(24-3)5-6-19(17)23-8-4-7-20-23/h4-8,13,16H,9-12,14-15H2,1-3H3
InChIKeyNSPIAQSSPUQGKO-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.03
Rot. Bonds7

About N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine

N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 91763516) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID91763516
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCOc1ccc(-n2cccn2)c(CN(C)CC(C)N2CCOCC2)c1
InChIInChI=1S/C19H28N4O2/c1-16(22-9-11-25-12-10-22)14-21(2)15-17-13-18(24-3)5-6-19(17)23-8-4-7-20-23/h4-8,13,16H,9-12,14-15H2,1-3H3
InChIKeyNSPIAQSSPUQGKO-UHFFFAOYSA-N
XLogP2.03
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869588
7-methoxy-3-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one
CID 56716187
7-methoxy-3-[[methyl-[(2R)-2-morpholin-4-ylpropyl]amino]methyl]-1H-quinolin-2-one
CID 95213505
2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 56718302
1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
CID 74246666
(3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol
CID 133122718
2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
CID 56912179
1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
CID 135096544
(2R)-N-(1H-indol-5-ylmethyl)-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 95207377
ethyl 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 91767325
4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine
CID 157018475
1-(2-tert-butyl-4-methoxyphenyl)pyrazole
CID 160761915

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine (CID 91763516) is N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine is COc1ccc(-n2cccn2)c(CN(C)CC(C)N2CCOCC2)c1.
What is the InChIKey of N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is NSPIAQSSPUQGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-16(22-9-11-25-12-10-22)14-21(2)15-17-13-18(24-3)5-6-19(17)23-8-4-7-20-23/h4-8,13,16H,9-12,14-15H2,1-3H3.
What are the key properties of N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 344.46 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 91763516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).