1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine

C15H19N5 — CID 43543411

IUPAC1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
SMILESCCn1cc(NC(C)c2nc3ccccc3n2C)cn1
InChIInChI=1S/C15H19N5/c1-4-20-10-12(9-16-20)17-11(2)15-18-13-7-5-6-8-14(13)19(15)3/h5-11,17H,4H2,1-3H3
InChIKeyFTRQITISJORKQQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.96
Rot. Bonds4

About 1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine

1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine (PubChem CID 43543411) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
PubChem CID43543411
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
SMILESCCn1cc(NC(C)c2nc3ccccc3n2C)cn1
InChIInChI=1S/C15H19N5/c1-4-20-10-12(9-16-20)17-11(2)15-18-13-7-5-6-8-14(13)19(15)3/h5-11,17H,4H2,1-3H3
InChIKeyFTRQITISJORKQQ-UHFFFAOYSA-N
XLogP2.96
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
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CID 43190607
4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194560
3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43195422
1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one
CID 60932031
N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine
CID 66351451
3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194264
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
CID 103932470
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115898295
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
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CID 751102

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine (CID 43543411) is 1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine is CCn1cc(NC(C)c2nc3ccccc3n2C)cn1.
What is the InChIKey of 1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine?
The InChIKey is FTRQITISJORKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-4-20-10-12(9-16-20)17-11(2)15-18-13-7-5-6-8-14(13)19(15)3/h5-11,17H,4H2,1-3H3.
What are the key properties of 1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine?
1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 43543411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).