1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine

C13H20ClN5 — CID 105185920

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
SMILESCCc1cc(C(NC)c2c(Cl)cnn2C)n(CC)n1
InChIInChI=1S/C13H20ClN5/c1-5-9-7-11(19(6-2)17-9)12(15-3)13-10(14)8-16-18(13)4/h7-8,12,15H,5-6H2,1-4H3
InChIKeyOCFSTMRVHIIBDS-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.16
Rot. Bonds5

About 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine

1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105185920) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105185920
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
SMILESCCc1cc(C(NC)c2c(Cl)cnn2C)n(CC)n1
InChIInChI=1S/C13H20ClN5/c1-5-9-7-11(19(6-2)17-9)12(15-3)13-10(14)8-16-18(13)4/h7-8,12,15H,5-6H2,1-4H3
InChIKeyOCFSTMRVHIIBDS-UHFFFAOYSA-N
XLogP2.16
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105182837
1-(4-chloro-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105186116
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105183128
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 114660153
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105182099
1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106849011
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 105149904
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105046678
[(1,3-diethylpyrazol-5-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337585
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 105090473
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105336990
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105040778

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine (CID 105185920) is 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine is CCc1cc(C(NC)c2c(Cl)cnn2C)n(CC)n1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is OCFSTMRVHIIBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-5-9-7-11(19(6-2)17-9)12(15-3)13-10(14)8-16-18(13)4/h7-8,12,15H,5-6H2,1-4H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 281.79 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105185920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).