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

C16H21N5 — CID 103932470

IUPAC3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C16H21N5/c1-5-12-14(10-20(3)19-12)17-11(2)16-18-13-8-6-7-9-15(13)21(16)4/h6-11,17H,5H2,1-4H3
InChIKeyYZOKCDXFMYCHHX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.04
Rot. Bonds4

About 3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine

3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine (PubChem CID 103932470) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
PubChem CID103932470
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C16H21N5/c1-5-12-14(10-20(3)19-12)17-11(2)16-18-13-8-6-7-9-15(13)21(16)4/h6-11,17H,5H2,1-4H3
InChIKeyYZOKCDXFMYCHHX-UHFFFAOYSA-N
XLogP3.04
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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

What is the IUPAC name of 3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine (CID 103932470) is 3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine is CCc1nn(C)cc1NC(C)c1nc2ccccc2n1C.
What is the InChIKey of 3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine?
The InChIKey is YZOKCDXFMYCHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-5-12-14(10-20(3)19-12)17-11(2)16-18-13-8-6-7-9-15(13)21(16)4/h6-11,17H,5H2,1-4H3.
What are the key properties of 3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine?
3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 103932470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).