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

C19H28N4O — CID 91764333

IUPACN-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine
SMILESCc1cc(-n2cccn2)ccc1CN(C)CC(C)N1CCOCC1
InChIInChI=1S/C19H28N4O/c1-16-13-19(23-8-4-7-20-23)6-5-18(16)15-21(3)14-17(2)22-9-11-24-12-10-22/h4-8,13,17H,9-12,14-15H2,1-3H3
InChIKeyHNJGWKAVOXMKOY-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.33
Rot. Bonds6

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

N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine (PubChem CID 91764333) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine
PubChem CID91764333
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine
SMILESCc1cc(-n2cccn2)ccc1CN(C)CC(C)N1CCOCC1
InChIInChI=1S/C19H28N4O/c1-16-13-19(23-8-4-7-20-23)6-5-18(16)15-21(3)14-17(2)22-9-11-24-12-10-22/h4-8,13,17H,9-12,14-15H2,1-3H3
InChIKeyHNJGWKAVOXMKOY-UHFFFAOYSA-N
XLogP2.33
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
2-{1-isopropyl-4-[3-(1H-pyrazol-1-yl)benzyl]-2-piperazinyl}ethanol
CID 16192436
4,5,6,7-tetrahydro-4-(2-(morpholin-4-yl)ethyl)-1-phenyl-1H-indazole
CID 11531451
2-{1-(4-methylbenzyl)-4-[2-methyl-4-(1H-pyrazol-1-yl)benzyl]-2-piperazinyl}ethanol
CID 16187353
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
2-{1-cyclopentyl-4-[2-methyl-4-(1H-pyrazol-1-yl)benzyl]piperazin-2-yl}ethanol
CID 16188362
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
4-(1-methyl-3-pyrrolidinyl)-1-[3-(1H-pyrazol-1-yl)benzyl]piperidine
CID 45245513
1,2-dimethyl-4-[2-(1H-pyrazol-1-ylmethyl)benzyl]piperazine
CID 50962406
N,N-dimethyl-1-{4-[2-methyl-4-(1H-pyrazol-1-yl)benzyl]-1,4-oxazepan-6-yl}methanamine
CID 56891183
2-{1-(3-methylbutyl)-4-[3-(1H-pyrazol-1-yl)benzyl]-2-piperazinyl}ethanol
CID 16188373
2-(1-methylpyrazol-3-yl)-9-morpholin-4-yl-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 73335233

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine (CID 91764333) is N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine is Cc1cc(-n2cccn2)ccc1CN(C)CC(C)N1CCOCC1.
What is the InChIKey of N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine?
The InChIKey is HNJGWKAVOXMKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-16-13-19(23-8-4-7-20-23)6-5-18(16)15-21(3)14-17(2)22-9-11-24-12-10-22/h4-8,13,17H,9-12,14-15H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine?
N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine has a molecular weight of 328.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 91764333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).