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

C20H25ClFN5 — CID 118741664

IUPAC1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride
SMILESCCC(CN1CCCC1)n1cncc1-c1cnn(-c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C20H24FN5.ClH/c1-2-18(14-24-9-3-4-10-24)25-15-22-12-20(25)16-11-23-26(13-16)19-7-5-17(21)6-8-19;/h5-8,11-13,15,18H,2-4,9-10,14H2,1H3;1H
InChIKeyNBZVNLBERWWFCN-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.34
Rot. Bonds6

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

1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride (PubChem CID 118741664) has the molecular formula C20H25ClFN5 and a molecular weight of 389.91 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride
PubChem CID118741664
Molecular FormulaC20H25ClFN5
Molecular Weight389.91 g/mol
Exact Mass389.18
IUPAC Name1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride
SMILESCCC(CN1CCCC1)n1cncc1-c1cnn(-c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C20H24FN5.ClH/c1-2-18(14-24-9-3-4-10-24)25-15-22-12-20(25)16-11-23-26(13-16)19-7-5-17(21)6-8-19;/h5-8,11-13,15,18H,2-4,9-10,14H2,1H3;1H
InChIKeyNBZVNLBERWWFCN-UHFFFAOYSA-N
XLogP4.34
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride (CID 118741664) is 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride is CCC(CN1CCCC1)n1cncc1-c1cnn(-c2ccc(F)cc2)c1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride?
The InChIKey is NBZVNLBERWWFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5.ClH/c1-2-18(14-24-9-3-4-10-24)25-15-22-12-20(25)16-11-23-26(13-16)19-7-5-17(21)6-8-19;/h5-8,11-13,15,18H,2-4,9-10,14H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride?
1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride has a molecular weight of 389.91 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole;hydrochloride is sourced from PubChem (CID 118741664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).