1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine

C15H25N5 — CID 114531654

IUPAC1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCCc1nn(CCc2nccn2C)c(CC)c1CNC
InChIInChI=1S/C15H25N5/c1-5-13-12(11-16-3)14(6-2)20(18-13)9-7-15-17-8-10-19(15)4/h8,10,16H,5-7,9,11H2,1-4H3
InChIKeyPOJZILCKDWEFEZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.70
Rot. Bonds7

About 1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine

1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine (PubChem CID 114531654) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
PubChem CID114531654
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCCc1nn(CCc2nccn2C)c(CC)c1CNC
InChIInChI=1S/C15H25N5/c1-5-13-12(11-16-3)14(6-2)20(18-13)9-7-15-17-8-10-19(15)4/h8,10,16H,5-7,9,11H2,1-4H3
InChIKeyPOJZILCKDWEFEZ-UHFFFAOYSA-N
XLogP1.70
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66151369
1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697339
methanamine;1-methyl-2-propylimidazole
CID 164902083
1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697791
1-[3,5-diethyl-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697882
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 112549489
2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 114531650
N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762044
azane;1-methyl-2-propylimidazole
CID 174525892
2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 114532016
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-methyl-2-nonylimidazole
CID 67393993

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine (CID 114531654) is 1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine is CCc1nn(CCc2nccn2C)c(CC)c1CNC.
What is the InChIKey of 1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is POJZILCKDWEFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-13-12(11-16-3)14(6-2)20(18-13)9-7-15-17-8-10-19(15)4/h8,10,16H,5-7,9,11H2,1-4H3.
What are the key properties of 1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine?
1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 275.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 114531654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).