N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine

C12H19N5 — CID 103014944

IUPACN-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(CCc2cnn(C)c2)c1
InChIInChI=1S/C12H19N5/c1-10(13-2)12-7-15-17(9-12)5-4-11-6-14-16(3)8-11/h6-10,13H,4-5H2,1-3H3
InChIKeyYCDMLAOYVJPBJQ-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.14
Rot. Bonds5

About N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine

N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine (PubChem CID 103014944) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
PubChem CID103014944
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(CCc2cnn(C)c2)c1
InChIInChI=1S/C12H19N5/c1-10(13-2)12-7-15-17(9-12)5-4-11-6-14-16(3)8-11/h6-10,13H,4-5H2,1-3H3
InChIKeyYCDMLAOYVJPBJQ-UHFFFAOYSA-N
XLogP1.14
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine
CID 115518233
1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine
CID 104649601
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 55109269
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 103015801
N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 62729600
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
1-[1-(2-butoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 62731777
1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole
CID 146261363
1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine
CID 103412839
N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine
CID 103139387

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine (CID 103014944) is N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine is CNC(C)c1cnn(CCc2cnn(C)c2)c1.
What is the InChIKey of N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine?
The InChIKey is YCDMLAOYVJPBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-10(13-2)12-7-15-17(9-12)5-4-11-6-14-16(3)8-11/h6-10,13H,4-5H2,1-3H3.
What are the key properties of N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine?
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine has a molecular weight of 233.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 103014944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).