N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine

C23H33ClN4O2 — CID 47030614

IUPACN-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1CNCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C23H33ClN4O2/c1-17-21(18(2)28(26-17)15-19-5-3-4-6-22(19)24)13-25-14-23(20-7-10-30-16-20)27-8-11-29-12-9-27/h3-6,20,23,25H,7-16H2,1-2H3
InChIKeyCIEOTPQTBMHXQR-UHFFFAOYSA-N
MW433.00 g/mol
LogP3.03
Rot. Bonds8

About N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine

N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine (PubChem CID 47030614) has the molecular formula C23H33ClN4O2 and a molecular weight of 433.00 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
PubChem CID47030614
Molecular FormulaC23H33ClN4O2
Molecular Weight433.00 g/mol
Exact Mass432.23
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1CNCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C23H33ClN4O2/c1-17-21(18(2)28(26-17)15-19-5-3-4-6-22(19)24)13-25-14-23(20-7-10-30-16-20)27-8-11-29-12-9-27/h3-6,20,23,25H,7-16H2,1-2H3
InChIKeyCIEOTPQTBMHXQR-UHFFFAOYSA-N
XLogP3.03
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
CID 47052353
(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethanamine
CID 97234657
N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylcyclopropan-1-amine
CID 119122258
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-ethylsulfonylethanamine
CID 119112522
N-[2-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 49463724
3-ethyl-2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]quinolin-4-amine
CID 97340056
3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 78858830
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
CID 46540829
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 79225656
[4-(1-aminoethyl)piperidin-1-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone
CID 119517266

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine (CID 47030614) is N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine is Cc1nn(Cc2ccccc2Cl)c(C)c1CNCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine?
The InChIKey is CIEOTPQTBMHXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN4O2/c1-17-21(18(2)28(26-17)15-19-5-3-4-6-22(19)24)13-25-14-23(20-7-10-30-16-20)27-8-11-29-12-9-27/h3-6,20,23,25H,7-16H2,1-2H3.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine?
N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine has a molecular weight of 433.00 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 47030614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).