N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine

C17H24N4O — CID 56781124

IUPACN,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine
SMILESCN(C)CC1CN(Cc2ccc(-n3cccn3)cc2)CCO1
InChIInChI=1S/C17H24N4O/c1-19(2)13-17-14-20(10-11-22-17)12-15-4-6-16(7-5-15)21-9-3-8-18-21/h3-9,17H,10-14H2,1-2H3
InChIKeyDXLUNCBTVKHCFO-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.63
Rot. Bonds5

About N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine

N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine (PubChem CID 56781124) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine
PubChem CID56781124
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine
SMILESCN(C)CC1CN(Cc2ccc(-n3cccn3)cc2)CCO1
InChIInChI=1S/C17H24N4O/c1-19(2)13-17-14-20(10-11-22-17)12-15-4-6-16(7-5-15)21-9-3-8-18-21/h3-9,17H,10-14H2,1-2H3
InChIKeyDXLUNCBTVKHCFO-UHFFFAOYSA-N
XLogP1.63
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.63
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-[3-(4-Methylphenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylethanethione
CID 2121563
2-{1-isopropyl-4-[3-(1H-pyrazol-1-yl)benzyl]piperazin-2-yl}ethanol
CID 16192436
4,5,6,7-tetrahydro-4-(2-(morpholin-4-yl)ethyl)-1-phenyl-1H-indazole
CID 11531451
(E)-N-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568669
1-p-Tolyl-1H-pyrazole
CID 809797
1-(4-methylphenyl)-5-[(4-morpholinylmethylene)amino]-1H-pyrazole-4-carbonitrile
CID 9587674
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
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
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]piperazin-2-yl}ethanol
CID 16188373

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine (CID 56781124) is N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine is CN(C)CC1CN(Cc2ccc(-n3cccn3)cc2)CCO1.
What is the InChIKey of N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is DXLUNCBTVKHCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-19(2)13-17-14-20(10-11-22-17)12-15-4-6-16(7-5-15)21-9-3-8-18-21/h3-9,17H,10-14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine?
N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 300.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 56781124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).