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

C14H23N5 — CID 19625650

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine
SMILESCCn1ccc(CNC(C)c2cn(CC)nc2C)n1
InChIInChI=1S/C14H23N5/c1-5-18-8-7-13(17-18)9-15-11(3)14-10-19(6-2)16-12(14)4/h7-8,10-11,15H,5-6,9H2,1-4H3
InChIKeyHVFBGIQCMLLBRZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.28
Rot. Bonds6

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

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 19625650) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine
PubChem CID19625650
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine
SMILESCCn1ccc(CNC(C)c2cn(CC)nc2C)n1
InChIInChI=1S/C14H23N5/c1-5-18-8-7-13(17-18)9-15-11(3)14-10-19(6-2)16-12(14)4/h7-8,10-11,15H,5-6,9H2,1-4H3
InChIKeyHVFBGIQCMLLBRZ-UHFFFAOYSA-N
XLogP2.28
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine
CID 19625231
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 19626689
2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627467
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 19625235
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625661
1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine
CID 23005800
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 19625239
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
CID 19625559
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 19625240
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122167168
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627712
N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide
CID 51391304

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine (CID 19625650) is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine is CCn1ccc(CNC(C)c2cn(CC)nc2C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is HVFBGIQCMLLBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-5-18-8-7-13(17-18)9-15-11(3)14-10-19(6-2)16-12(14)4/h7-8,10-11,15H,5-6,9H2,1-4H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine?
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 19625650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).