1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

C14H22N4 — CID 19626689

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCCn1cc(C(C)NCc2cccn2C)c(C)n1
InChIInChI=1S/C14H22N4/c1-5-18-10-14(12(3)16-18)11(2)15-9-13-7-6-8-17(13)4/h6-8,10-11,15H,5,9H2,1-4H3
InChIKeyUDTVZQGRTRSDKF-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.40
Rot. Bonds5

About 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (PubChem CID 19626689) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
PubChem CID19626689
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCCn1cc(C(C)NCc2cccn2C)c(C)n1
InChIInChI=1S/C14H22N4/c1-5-18-10-14(12(3)16-18)11(2)15-9-13-7-6-8-17(13)4/h6-8,10-11,15H,5,9H2,1-4H3
InChIKeyUDTVZQGRTRSDKF-UHFFFAOYSA-N
XLogP2.40
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625661
N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine
CID 19625231
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine
CID 19625650
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-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
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 62133520
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627712
(1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81403604

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (CID 19626689) is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is CCn1cc(C(C)NCc2cccn2C)c(C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is UDTVZQGRTRSDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-5-18-10-14(12(3)16-18)11(2)15-9-13-7-6-8-17(13)4/h6-8,10-11,15H,5,9H2,1-4H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 246.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 19626689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).