N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine

C14H23N5 — CID 61405309

IUPACN-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCCc1nccn1-c1c(CNC(C)C)c(C)nn1C
InChIInChI=1S/C14H23N5/c1-6-13-15-7-8-19(13)14-12(9-16-10(2)3)11(4)17-18(14)5/h7-8,10,16H,6,9H2,1-5H3
InChIKeyAGSRGQOVXVBZSW-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.97
Rot. Bonds5

About N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine

N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 61405309) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID61405309
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCCc1nccn1-c1c(CNC(C)C)c(C)nn1C
InChIInChI=1S/C14H23N5/c1-6-13-15-7-8-19(13)14-12(9-16-10(2)3)11(4)17-18(14)5/h7-8,10,16H,6,9H2,1-5H3
InChIKeyAGSRGQOVXVBZSW-UHFFFAOYSA-N
XLogP1.97
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (CID 61405309) is N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is CCc1nccn1-c1c(CNC(C)C)c(C)nn1C.
What is the InChIKey of N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is AGSRGQOVXVBZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-6-13-15-7-8-19(13)14-12(9-16-10(2)3)11(4)17-18(14)5/h7-8,10,16H,6,9H2,1-5H3.
What are the key properties of N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 61405309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).