N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine

C12H19N5 — CID 103894057

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
SMILESCCc1nn(C)cc1CNC(C)c1cn[nH]c1
InChIInChI=1S/C12H19N5/c1-4-12-11(8-17(3)16-12)5-13-9(2)10-6-14-15-7-10/h6-9,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyCGJIGIWVNCETSU-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.56
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine (PubChem CID 103894057) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
PubChem CID103894057
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
SMILESCCc1nn(C)cc1CNC(C)c1cn[nH]c1
InChIInChI=1S/C12H19N5/c1-4-12-11(8-17(3)16-12)5-13-9(2)10-6-14-15-7-10/h6-9,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyCGJIGIWVNCETSU-UHFFFAOYSA-N
XLogP1.56
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 112549296
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549272
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 115885783
N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209349
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549216
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 115885602
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 114987173
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 113348148
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 115885467
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 115888663
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549544

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine (CID 103894057) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine is CCc1nn(C)cc1CNC(C)c1cn[nH]c1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is CGJIGIWVNCETSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-12-11(8-17(3)16-12)5-13-9(2)10-6-14-15-7-10/h6-9,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 233.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 103894057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).