2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine

C15H25N5 — CID 77095899

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CN(C)CCc1c(C)n[nH]c1C
InChIInChI=1S/C15H25N5/c1-5-8-20-10-7-16-15(20)11-19(4)9-6-14-12(2)17-18-13(14)3/h7,10H,5-6,8-9,11H2,1-4H3,(H,17,18)
InChIKeySNDKFISKMRXEMR-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.31
Rot. Bonds7

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 77095899) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID77095899
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CN(C)CCc1c(C)n[nH]c1C
InChIInChI=1S/C15H25N5/c1-5-8-20-10-7-16-15(20)11-19(4)9-6-14-12(2)17-18-13(14)3/h7,10H,5-6,8-9,11H2,1-4H3,(H,17,18)
InChIKeySNDKFISKMRXEMR-UHFFFAOYSA-N
XLogP2.31
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine (CID 77095899) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1CN(C)CCc1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is SNDKFISKMRXEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-8-20-10-7-16-15(20)11-19(4)9-6-14-12(2)17-18-13(14)3/h7,10H,5-6,8-9,11H2,1-4H3,(H,17,18).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 275.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 77095899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).