1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride

C20H26ClN5 — CID 118741666

IUPAC1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride
SMILESCCC(CN1CCCC1)n1cncc1-c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C20H25N5.ClH/c1-2-18(15-23-10-6-7-11-23)24-16-21-13-20(24)17-12-22-25(14-17)19-8-4-3-5-9-19;/h3-5,8-9,12-14,16,18H,2,6-7,10-11,15H2,1H3;1H
InChIKeyNKLDEGLDPNGUSY-UHFFFAOYSA-N
MW371.92 g/mol
LogP4.20
Rot. Bonds6

About 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride

1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride (PubChem CID 118741666) has the molecular formula C20H26ClN5 and a molecular weight of 371.92 g/mol. Its IUPAC name is 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride.

Molecular Properties

Compound Name1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride
PubChem CID118741666
Molecular FormulaC20H26ClN5
Molecular Weight371.92 g/mol
Exact Mass371.19
IUPAC Name1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride
SMILESCCC(CN1CCCC1)n1cncc1-c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C20H25N5.ClH/c1-2-18(15-23-10-6-7-11-23)24-16-21-13-20(24)17-12-22-25(14-17)19-8-4-3-5-9-19;/h3-5,8-9,12-14,16,18H,2,6-7,10-11,15H2,1H3;1H
InChIKeyNKLDEGLDPNGUSY-UHFFFAOYSA-N
XLogP4.20
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.92
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride?
The IUPAC name of 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride (CID 118741666) is 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride.
What is the SMILES notation for 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride?
The canonical SMILES for 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride is CCC(CN1CCCC1)n1cncc1-c1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride?
The InChIKey is NKLDEGLDPNGUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5.ClH/c1-2-18(15-23-10-6-7-11-23)24-16-21-13-20(24)17-12-22-25(14-17)19-8-4-3-5-9-19;/h3-5,8-9,12-14,16,18H,2,6-7,10-11,15H2,1H3;1H.
What are the key properties of 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride?
1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride has a molecular weight of 371.92 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride is sourced from PubChem (CID 118741666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).