5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole

C14H21N5 — CID 114721941

IUPAC5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole
SMILESCC1(c2cncn2CCCn2cccn2)CCNC1
InChIInChI=1S/C14H21N5/c1-14(4-6-15-11-14)13-10-16-12-18(13)7-3-9-19-8-2-5-17-19/h2,5,8,10,12,15H,3-4,6-7,9,11H2,1H3
InChIKeyYKAFAGKNBXYUBM-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.42
Rot. Bonds5

About 5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole

5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole (PubChem CID 114721941) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole.

Molecular Properties

Compound Name5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole
PubChem CID114721941
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole
SMILESCC1(c2cncn2CCCn2cccn2)CCNC1
InChIInChI=1S/C14H21N5/c1-14(4-6-15-11-14)13-10-16-12-18(13)7-3-9-19-8-2-5-17-19/h2,5,8,10,12,15H,3-4,6-7,9,11H2,1H3
InChIKeyYKAFAGKNBXYUBM-UHFFFAOYSA-N
XLogP1.42
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanoate
CID 114719022
1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine
CID 107165726
1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 106194376
1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114719456
N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine
CID 114721676
1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114722631
N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide
CID 114721912
5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole
CID 114721945
4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine
CID 114718584
1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole
CID 114721843
3-methyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyridine
CID 114722754
1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114722180

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole?
The IUPAC name of 5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole (CID 114721941) is 5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole.
What is the SMILES notation for 5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole?
The canonical SMILES for 5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole is CC1(c2cncn2CCCn2cccn2)CCNC1.
What is the InChIKey of 5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole?
The InChIKey is YKAFAGKNBXYUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-14(4-6-15-11-14)13-10-16-12-18(13)7-3-9-19-8-2-5-17-19/h2,5,8,10,12,15H,3-4,6-7,9,11H2,1H3.
What are the key properties of 5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole?
5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole has a molecular weight of 259.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole is sourced from PubChem (CID 114721941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).