1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine

C12H21ClN4O — CID 83099899

IUPAC1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C12H21ClN4O/c1-9-12(13)11(16(3)15-9)7-17-4-5-18-8-10(17)6-14-2/h10,14H,4-8H2,1-3H3
InChIKeyQYQSFJQEQRVVOI-UHFFFAOYSA-N
MW272.78 g/mol
LogP0.80
Rot. Bonds4

About 1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine

1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine (PubChem CID 83099899) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine
PubChem CID83099899
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C12H21ClN4O/c1-9-12(13)11(16(3)15-9)7-17-4-5-18-8-10(17)6-14-2/h10,14H,4-8H2,1-3H3
InChIKeyQYQSFJQEQRVVOI-UHFFFAOYSA-N
XLogP0.80
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83101344
1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 83100798
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine
CID 60795842
N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine
CID 83099643
N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine
CID 83099732
1-[4-[(1,3-diethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 83099735
N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine
CID 107912675
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-4-amine
CID 83021928
1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine
CID 83099903
N-methyl-1-[4-(2-propan-2-yloxyethyl)morpholin-3-yl]methanamine
CID 83100152
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine
CID 81209692
N-methyl-1-(4-octylmorpholin-3-yl)methanamine
CID 83099737

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine (CID 83099899) is 1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine is CNCC1COCCN1Cc1c(Cl)c(C)nn1C.
What is the InChIKey of 1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine?
The InChIKey is QYQSFJQEQRVVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-9-12(13)11(16(3)15-9)7-17-4-5-18-8-10(17)6-14-2/h10,14H,4-8H2,1-3H3.
What are the key properties of 1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine?
1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine has a molecular weight of 272.78 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 83099899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).